*HEADER    ANTIBIOTIC                              17-JUL-17   5Y0H              
*TITLE     SOLUTION STRUCTURE OF ARENICIN-3 DERIVATIVE N6                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: N6;                                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ARENICOLA MARINA;                               
*SOURCE   4 ORGANISM_TAXID: 6344                                                 
*KEYWDS    ARENICIN-3 DERIVATIVE BETA-HAIRPIN ANTIMICROBIAL ACTION, ANTIBIOTIC   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    X.H.LIU,J.H.WANG                                                      
*REVDAT   1   26-JUL-17 5Y0H    0                                                
# Restraints file 1: dihedral.tbl
 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -74.93 35.07 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 138.39 48.39 2

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -75.95 94.05 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 136.54 46.54 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -129.55 50.45 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 144.07 44.07 2

 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -109.54 40.46 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 128.84 28.84 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -110.66 39.34 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 132.34 32.34 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -129.14 30.86 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 145.75 35.75 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -118.89 51.11 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 131.28 31.28 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -110.99 39.01 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 128.37 28.37 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00  55.00 15.00 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00  45.00 15.00 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00  81.88 41.88 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00   1.20 31.20 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -124.48 25.52 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 134.49 34.49 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -98.74 41.26 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 118.83 28.83 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -114.07 25.93 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 125.02 25.02 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -123.01 46.99 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 140.85 40.85 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -118.56 51.44 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 129.84 29.84 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -102.45 47.55 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 125.02 35.02 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -75.21 34.79 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 135.02 25.02 2

# Restraints file 2: hbond.tbl
 assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 10   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 13   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 15   and name  O   ))
      2.200     0.470     0.500

# Restraints file 3: unambig.tbl
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HA2) 2.682 0.899 0.899 weight 1.000 ! spec=noe200, no=19, id=16, vol=2.540935e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name   HA) 2.675 0.894 0.894 weight 1.000 ! spec=noe200, no=22, id=19, vol=2.584872e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.618 0.856 0.856 weight 1.000 ! spec=noe200, no=24, id=21, vol=2.942735e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB2) 2.565 0.822 0.822 weight 1.000 ! spec=noe200, no=26, id=23, vol=3.325644e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.421 0.733 0.733 weight 1.000 ! spec=noe200, no=31, id=24, vol=4.701449e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB2) 2.396 0.718 0.718 weight 1.000 ! spec=noe200, no=32, id=25, vol=4.997184e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB2) 2.316 0.671 0.671 weight 1.000 ! spec=noe200, no=33, id=26, vol=6.131722e+06
assign (segid "   A" and resid    9 and name  HD1) (segid "   A" and resid    9 and name  HB2) 2.337 0.683 0.683 weight 1.000 ! spec=noe200, no=34, id=27, vol=5.814074e+06
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid    9 and name  HB2)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.625 0.861 0.861 weight 1.000 ! spec=noe200, no=37, id=30, vol=2.892478e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB1) 2.399 0.719 0.719 weight 1.000 ! spec=noe200, no=38, id=31, vol=4.970835e+06
assign (segid "   A" and resid    9 and name  HD1) (segid "   A" and resid    9 and name  HB1) 2.291 0.656 0.656 weight 1.000 ! spec=noe200, no=40, id=33, vol=6.542953e+06
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid    9 and name  HB1)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB2) 2.644 0.874 0.874 weight 1.000 ! spec=noe200, no=43, id=36, vol=2.773691e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB2) 2.395 0.717 0.717 weight 1.000 ! spec=noe200, no=44, id=37, vol=5.019275e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HB) 2.336 0.682 0.682 weight 1.000 ! spec=noe200, no=45, id=38, vol=5.827272e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HB) 2.452 0.751 0.751 weight 1.000 ! spec=noe200, no=46, id=39, vol=4.357662e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HB) 2.560 0.819 0.819 weight 1.000 ! spec=noe200, no=47, id=40, vol=3.362103e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.151 0.578 0.578 weight 1.000 ! spec=noe200, no=48, id=41, vol=9.551360e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HB) 2.549 0.812 0.812 weight 1.000 ! spec=noe200, no=49, id=42, vol=3.447626e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB2) 2.291 0.656 0.656 weight 1.000 ! spec=noe200, no=50, id=43, vol=6.551613e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB2) 2.461 0.757 0.757 weight 1.000 ! spec=noe200, no=52, id=45, vol=4.263492e+06
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB1)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB3)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB1) 2.413 0.728 0.728 weight 1.000 ! spec=noe200, no=53, id=46, vol=4.801185e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB3) 2.448 0.749 0.749 weight 1.000 ! spec=noe200, no=54, id=47, vol=4.394080e+06
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG12) 2.354 0.693 0.693 weight 1.000 ! spec=noe200, no=55, id=48, vol=5.566605e+06
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG11)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG13)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name HG13) 2.633 0.867 0.867 weight 1.000 ! spec=noe200, no=56, id=49, vol=2.839546e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name HG11)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name HG12)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name HG13) 2.640 0.871 0.871 weight 1.000 ! spec=noe200, no=57, id=50, vol=2.793836e+06
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name HG11)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name HG12)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG21) 2.452 0.751 0.751 weight 1.000 ! spec=noe200, no=58, id=51, vol=4.357571e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG22)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG13) 2.540 0.807 0.807 weight 1.000 ! spec=noe200, no=59, id=52, vol=3.521421e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name HG22) 2.721 0.925 0.925 weight 1.000 ! spec=noe200, no=63, id=56, vol=2.332836e+06
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name HG21)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name HG21) 2.412 0.727 0.727 weight 1.000 ! spec=noe200, no=64, id=57, vol=4.807456e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    4 and name  HD1) 2.596 0.842 0.842 weight 1.000 ! spec=noe200, no=65, id=58, vol=3.093323e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   13 and name   HN) 2.578 0.831 0.831 weight 1.000 ! spec=noe200, no=67, id=60, vol=3.225642e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name   HN) 2.652 0.879 0.879 weight 1.000 ! spec=noe200, no=69, id=62, vol=2.723388e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    6 and name   HN) 2.685 0.901 0.901 weight 1.000 ! spec=noe200, no=70, id=63, vol=2.525912e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid    8 and name   HN) 2.653 0.880 0.880 weight 1.000 ! spec=noe200, no=71, id=64, vol=2.715149e+06
assign (segid "   A" and resid    4 and name  HZ2) (segid "   A" and resid    4 and name  HH2) 2.325 0.676 0.676 weight 1.000 ! spec=noe200, no=72, id=65, vol=5.996107e+06
assign (segid "   A" and resid   21 and name HD22) (segid "   A" and resid   21 and name HD21) 2.125 0.564 0.564 weight 1.000 ! spec=noe200, no=75, id=67, vol=1.027995e+07
assign (segid "   A" and resid    5 and name HD22) (segid "   A" and resid    5 and name HD21) 1.685 0.355 0.355 weight 1.000 ! spec=noe200, no=76, id=68, vol=4.131076e+07
assign (segid "   A" and resid   11 and name HD21) (segid "   A" and resid   11 and name HD22) 2.300 0.661 0.661 weight 1.000 ! spec=noe200, no=82, id=69, vol=6.398565e+06
assign (segid "   A" and resid    4 and name  HZ3) (segid "   A" and resid    4 and name  HE3) 2.340 0.685 0.685 weight 1.000 ! spec=noe200, no=83, id=70, vol=5.762856e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name   HN) 2.552 0.814 0.814 weight 1.000 ! spec=noe200, no=89, id=75, vol=3.429923e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HN) 3.790 1.796 1.796 weight 1.000 ! spec=noe200, no=90, id=76, vol=3.193107e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   14 and name   HA) 2.284 0.652 0.652 weight 1.000 ! spec=noe200, no=93, id=79, vol=6.665628e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB1) 2.405 0.723 0.723 weight 1.000 ! spec=noe200, no=99, id=82, vol=4.885926e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB2) 2.507 0.786 0.786 weight 1.000 ! spec=noe200, no=100, id=83, vol=3.811869e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB2) 2.389 0.713 0.713 weight 1.000 ! spec=noe200, no=101, id=84, vol=5.090569e+06
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HB1) 2.450 0.750 0.750 weight 1.000 ! spec=noe200, no=113, id=85, vol=4.377942e+06
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HG2) 2.397 0.718 0.718 weight 1.000 ! spec=noe200, no=115, id=86, vol=4.989511e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name HG13) 2.322 0.674 0.674 weight 1.000 ! spec=noe200, no=116, id=87, vol=6.039783e+06
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name HG11)
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name HG12)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG22) 2.389 0.714 0.714 weight 1.000 ! spec=noe200, no=120, id=91, vol=5.088214e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG21)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name HG21) 2.682 0.899 0.899 weight 1.000 ! spec=noe200, no=121, id=92, vol=2.541482e+06
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name HG13) 2.170 0.589 0.589 weight 1.000 ! spec=noe200, no=124, id=95, vol=9.060786e+06
    or (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name HG11)
    or (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name HG12)
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG13) 2.272 0.645 0.645 weight 1.000 ! spec=noe200, no=125, id=96, vol=6.878340e+06
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG22) 2.307 0.665 0.665 weight 1.000 ! spec=noe200, no=126, id=97, vol=6.275692e+06
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG21)
assign (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name HG21) 2.296 0.659 0.659 weight 1.000 ! spec=noe200, no=127, id=98, vol=6.464682e+06
    or (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid   14 and name  HG1) (segid "   A" and resid   14 and name  HG2) 2.000 0.500 0.500 weight 1.000 ! spec=noe200, no=129, id=100, vol=1.477638e+07
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HG1) 2.418 0.731 0.731 weight 1.000 ! spec=noe200, no=133, id=104, vol=4.734413e+06
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name  HB2) 1.764 0.389 0.389 weight 1.000 ! spec=noe200, no=138, id=108, vol=3.144904e+07
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name  HB1) 1.904 0.453 0.453 weight 1.000 ! spec=noe200, no=147, id=113, vol=1.985769e+07
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name  HG1) 2.422 0.733 0.733 weight 1.000 ! spec=noe200, no=148, id=114, vol=4.690487e+06
assign (segid "   A" and resid   10 and name  HG2) (segid "   A" and resid   10 and name  HG1) 1.915 0.458 0.458 weight 1.000 ! spec=noe200, no=151, id=115, vol=1.921331e+07
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name  HG2) 2.559 0.819 0.819 weight 1.000 ! spec=noe200, no=153, id=116, vol=3.371319e+06
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HB1) 1.738 0.378 0.378 weight 1.000 ! spec=noe200, no=154, id=117, vol=3.431617e+07
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HB1) 1.879 0.441 0.441 weight 1.000 ! spec=noe200, no=155, id=118, vol=2.148515e+07
assign (segid "   A" and resid   12 and name  HA2) (segid "   A" and resid   12 and name  HA1) 1.842 0.424 0.424 weight 1.000 ! spec=noe200, no=159, id=122, vol=2.423576e+07
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    9 and name   HA) 2.683 0.900 0.900 weight 1.000 ! spec=noe200, no=163, id=126, vol=2.538289e+06
assign (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name   HA) 2.596 0.843 0.843 weight 1.000 ! spec=noe200, no=165, id=128, vol=3.090626e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HA) 2.004 0.502 0.502 weight 1.000 ! spec=noe200, no=166, id=129, vol=1.461190e+07
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.022 0.511 0.511 weight 1.000 ! spec=noe200, no=167, id=130, vol=1.386555e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HA) 1.971 0.486 0.486 weight 1.000 ! spec=noe200, no=168, id=131, vol=1.614561e+07
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 1.911 0.457 0.457 weight 1.000 ! spec=noe200, no=172, id=134, vol=1.941670e+07
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 2.009 0.505 0.505 weight 1.000 ! spec=noe200, no=182, id=142, vol=1.437714e+07
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB1) 2.652 0.879 0.879 weight 1.000 ! spec=noe200, no=184, id=144, vol=2.722788e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HA) 1.953 0.477 0.477 weight 1.000 ! spec=noe200, no=186, id=146, vol=1.704870e+07
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HA) 1.890 0.447 0.447 weight 1.000 ! spec=noe200, no=189, id=149, vol=2.073501e+07
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HA) 2.386 0.712 0.712 weight 1.000 ! spec=noe200, no=194, id=153, vol=5.126521e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 2.084 0.543 0.543 weight 1.000 ! spec=noe200, no=199, id=154, vol=1.154098e+07
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HA) 2.371 0.703 0.703 weight 1.000 ! spec=noe200, no=204, id=159, vol=5.326779e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HA) 2.178 0.593 0.593 weight 1.000 ! spec=noe200, no=205, id=160, vol=8.872898e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HA) 2.262 0.640 0.640 weight 1.000 ! spec=noe200, no=207, id=162, vol=7.068571e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 2.202 0.606 0.606 weight 1.000 ! spec=noe200, no=210, id=164, vol=8.293065e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HA) 1.990 0.495 0.495 weight 1.000 ! spec=noe200, no=215, id=168, vol=1.524553e+07
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name   HA) 2.007 0.503 0.503 weight 1.000 ! spec=noe200, no=220, id=171, vol=1.449148e+07
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HA) 2.082 0.542 0.542 weight 1.000 ! spec=noe200, no=221, id=172, vol=1.163094e+07
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA) 2.003 0.501 0.501 weight 1.000 ! spec=noe200, no=222, id=173, vol=1.467455e+07
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 2.104 0.553 0.553 weight 1.000 ! spec=noe200, no=224, id=174, vol=1.090689e+07
assign (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    4 and name  HZ2) 3.130 1.225 1.225 weight 1.000 ! spec=noe200, no=226, id=175, vol=1.006508e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.233 1.307 1.307 weight 1.000 ! spec=noe200, no=230, id=177, vol=8.288881e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 3.102 1.203 1.203 weight 1.000 ! spec=noe200, no=231, id=178, vol=1.061836e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB2) 3.267 1.334 1.334 weight 1.000 ! spec=noe200, no=233, id=180, vol=7.780165e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid    7 and name   HA) 3.588 1.609 1.609 weight 1.000 ! spec=noe200, no=235, id=182, vol=4.437650e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid    9 and name   HN) 3.876 1.878 1.878 weight 1.000 ! spec=noe200, no=240, id=187, vol=2.793286e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name   HN) 3.479 1.513 1.513 weight 1.000 ! spec=noe200, no=241, id=188, vol=5.341303e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HN) 3.452 1.489 1.489 weight 1.000 ! spec=noe200, no=242, id=189, vol=5.596033e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   12 and name   HN) 3.289 1.352 1.352 weight 1.000 ! spec=noe200, no=243, id=190, vol=7.474807e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   10 and name   HN) 3.006 1.130 1.130 weight 1.000 ! spec=noe200, no=245, id=191, vol=1.282118e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name   HN) 3.462 1.498 1.498 weight 1.000 ! spec=noe200, no=248, id=194, vol=5.497327e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HD1) 3.185 1.268 1.268 weight 1.000 ! spec=noe200, no=251, id=197, vol=9.073193e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HE3) 5.437 3.696 3.696 weight 1.000 ! spec=noe200, no=252, id=198, vol=3.662854e+04
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HD22) 3.593 1.614 1.614 weight 1.000 ! spec=noe200, no=253, id=199, vol=4.399978e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HN) 2.981 1.111 1.111 weight 1.000 ! spec=noe200, no=257, id=201, vol=1.348265e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HN) 4.358 2.374 2.374 weight 1.000 ! spec=noe200, no=261, id=202, vol=1.381992e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    3 and name   HN) 3.184 1.267 1.267 weight 1.000 ! spec=noe200, no=268, id=207, vol=9.081749e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HN) 3.018 1.138 1.138 weight 1.000 ! spec=noe200, no=269, id=208, vol=1.253900e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HA2) 2.913 1.060 1.060 weight 1.000 ! spec=noe200, no=277, id=213, vol=1.550748e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HB1) 3.039 1.155 1.155 weight 1.000 ! spec=noe200, no=279, id=215, vol=1.200620e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.878 1.035 1.035 weight 1.000 ! spec=noe200, no=280, id=216, vol=1.666391e+06
assign (segid "   A" and resid    4 and name  HE3) (segid "   A" and resid    4 and name  HB1) 2.823 0.996 0.996 weight 1.000 ! spec=noe200, no=281, id=217, vol=1.869779e+06
assign (segid "   A" and resid    4 and name  HE3) (segid "   A" and resid    4 and name  HB2) 2.891 1.045 1.045 weight 1.000 ! spec=noe200, no=282, id=218, vol=1.620919e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.501 1.532 1.532 weight 1.000 ! spec=noe200, no=283, id=219, vol=5.137473e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   11 and name  HB1) 3.352 1.405 1.405 weight 1.000 ! spec=noe200, no=284, id=220, vol=6.667751e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid    9 and name  HB1) 3.467 1.502 1.502 weight 1.000 ! spec=noe200, no=285, id=221, vol=5.453278e+05
assign (segid "   A" and resid   11 and name HD21) (segid "   A" and resid   11 and name  HB1) 3.363 1.413 1.413 weight 1.000 ! spec=noe200, no=286, id=222, vol=6.546461e+05
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    4 and name  HB1) 2.890 1.044 1.044 weight 1.000 ! spec=noe200, no=291, id=227, vol=1.626306e+06
assign (segid "   A" and resid    9 and name  HE2) (segid "   A" and resid    9 and name  HB1) 3.366 1.416 1.416 weight 1.000 ! spec=noe200, no=297, id=232, vol=6.508992e+05
    or (segid "   A" and resid    9 and name  HE1) (segid "   A" and resid    9 and name  HB1)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB1) 2.819 0.993 0.993 weight 1.000 ! spec=noe200, no=299, id=233, vol=1.885394e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HB2) 3.232 1.306 1.306 weight 1.000 ! spec=noe200, no=303, id=235, vol=8.304401e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HB1) 2.938 1.079 1.079 weight 1.000 ! spec=noe200, no=304, id=236, vol=1.470738e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.840 1.008 1.008 weight 1.000 ! spec=noe200, no=305, id=237, vol=1.804368e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB2) 2.957 1.093 1.093 weight 1.000 ! spec=noe200, no=306, id=238, vol=1.415910e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.943 1.082 1.082 weight 1.000 ! spec=noe200, no=308, id=240, vol=1.458111e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA) 3.072 1.180 1.180 weight 1.000 ! spec=noe200, no=312, id=244, vol=1.125462e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   16 and name   HA) 3.679 1.692 1.692 weight 1.000 ! spec=noe200, no=313, id=245, vol=3.816361e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid    7 and name  HB2) 3.443 1.482 1.482 weight 1.000 ! spec=noe200, no=315, id=246, vol=5.682847e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB2) 2.909 1.058 1.058 weight 1.000 ! spec=noe200, no=317, id=248, vol=1.561669e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.875 1.033 1.033 weight 1.000 ! spec=noe200, no=321, id=252, vol=1.677750e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB2) 3.547 1.573 1.573 weight 1.000 ! spec=noe200, no=322, id=253, vol=4.751556e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.796 0.977 0.977 weight 1.000 ! spec=noe200, no=323, id=254, vol=1.981810e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HG1) 3.852 1.854 1.854 weight 1.000 ! spec=noe200, no=324, id=255, vol=2.899190e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HG1) 3.230 1.304 1.304 weight 1.000 ! spec=noe200, no=326, id=257, vol=8.334412e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   15 and name HG13) 2.879 1.036 1.036 weight 1.000 ! spec=noe200, no=327, id=258, vol=1.663614e+06
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name HG21) 3.423 1.465 1.465 weight 1.000 ! spec=noe200, no=329, id=260, vol=5.881087e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name HG13) 3.054 1.166 1.166 weight 1.000 ! spec=noe200, no=330, id=261, vol=1.166924e+06
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB2) 3.289 1.352 1.352 weight 1.000 ! spec=noe200, no=334, id=263, vol=7.484304e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB1)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB3)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name  HB3) 3.469 1.504 1.504 weight 1.000 ! spec=noe200, no=336, id=264, vol=5.432475e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB3) 2.834 1.004 1.004 weight 1.000 ! spec=noe200, no=337, id=265, vol=1.826351e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid    4 and name  HE3) (segid "   A" and resid   19 and name  HB1) 4.909 3.012 3.012 weight 1.000 ! spec=noe200, no=339, id=267, vol=6.763536e+04
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    6 and name   HB) 3.649 1.664 1.664 weight 1.000 ! spec=noe200, no=340, id=268, vol=4.010372e+05
assign (segid "   A" and resid   18 and name   HE) (segid "   A" and resid   18 and name  HG1) 3.174 1.259 1.259 weight 1.000 ! spec=noe200, no=341, id=269, vol=9.260994e+05
assign (segid "   A" and resid   14 and name   HE) (segid "   A" and resid   14 and name  HB2) 3.245 1.316 1.316 weight 1.000 ! spec=noe200, no=342, id=270, vol=8.110171e+05
assign (segid "   A" and resid   19 and name   HE) (segid "   A" and resid   19 and name  HG2) 3.303 1.364 1.364 weight 1.000 ! spec=noe200, no=343, id=271, vol=7.283005e+05
assign (segid "   A" and resid    9 and name  HD1) (segid "   A" and resid   14 and name  HB1) 3.200 1.280 1.280 weight 1.000 ! spec=noe200, no=344, id=272, vol=8.809348e+05
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid    9 and name  HE2) (segid "   A" and resid   14 and name  HB1) 2.843 1.010 1.010 weight 1.000 ! spec=noe200, no=345, id=273, vol=1.792285e+06
    or (segid "   A" and resid    9 and name  HE1) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid    9 and name  HE2) (segid "   A" and resid   14 and name  HG2) 3.128 1.223 1.223 weight 1.000 ! spec=noe200, no=347, id=275, vol=1.010194e+06
    or (segid "   A" and resid    9 and name  HE1) (segid "   A" and resid   14 and name  HG2)
assign (segid "   A" and resid   14 and name   HE) (segid "   A" and resid   14 and name  HG2) 3.185 1.268 1.268 weight 1.000 ! spec=noe200, no=348, id=276, vol=9.076238e+05
assign (segid "   A" and resid   14 and name   HE) (segid "   A" and resid   14 and name  HG1) 3.421 1.463 1.463 weight 1.000 ! spec=noe200, no=353, id=278, vol=5.905172e+05
assign (segid "   A" and resid    9 and name  HE2) (segid "   A" and resid   14 and name  HB2) 3.621 1.639 1.639 weight 1.000 ! spec=noe200, no=354, id=279, vol=4.197803e+05
    or (segid "   A" and resid    9 and name  HE1) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HD1) 2.672 0.892 0.892 weight 1.000 ! spec=noe200, no=357, id=281, vol=2.601316e+06
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HD2)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid    9 and name  HD1) 3.458 1.494 1.494 weight 1.000 ! spec=noe200, no=358, id=282, vol=5.539128e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid    9 and name  HD2)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HD1) 3.657 1.672 1.672 weight 1.000 ! spec=noe200, no=359, id=283, vol=3.954615e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HD2)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HN) 3.262 1.330 1.330 weight 1.000 ! spec=noe200, no=360, id=284, vol=7.852674e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HE3) 3.217 1.294 1.294 weight 1.000 ! spec=noe200, no=361, id=285, vol=8.535333e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid    9 and name   HA) 3.430 1.471 1.471 weight 1.000 ! spec=noe200, no=364, id=288, vol=5.813884e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    5 and name   HA) 2.846 1.013 1.013 weight 1.000 ! spec=noe200, no=365, id=289, vol=1.780482e+06
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   10 and name   HN) 3.086 1.190 1.190 weight 1.000 ! spec=noe200, no=366, id=290, vol=1.096247e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HA1) 2.871 1.031 1.031 weight 1.000 ! spec=noe200, no=368, id=292, vol=1.688545e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HA2) 2.985 1.114 1.114 weight 1.000 ! spec=noe200, no=373, id=297, vol=1.337969e+06
assign (segid "   A" and resid   12 and name  HA1) (segid "   A" and resid   13 and name   HN) 3.080 1.186 1.186 weight 1.000 ! spec=noe200, no=374, id=298, vol=1.109428e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB2) 2.846 1.012 1.012 weight 1.000 ! spec=noe200, no=381, id=305, vol=1.782357e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   13 and name   HB) 3.621 1.639 1.639 weight 1.000 ! spec=noe200, no=389, id=313, vol=4.198639e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HB) 3.367 1.417 1.417 weight 1.000 ! spec=noe200, no=390, id=314, vol=6.499115e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid   15 and name   HB) 3.428 1.469 1.469 weight 1.000 ! spec=noe200, no=392, id=316, vol=5.835965e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB1) 3.290 1.353 1.353 weight 1.000 ! spec=noe200, no=394, id=317, vol=7.463179e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HG1) 3.447 1.485 1.485 weight 1.000 ! spec=noe200, no=396, id=319, vol=5.640624e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.515 1.544 1.544 weight 1.000 ! spec=noe200, no=397, id=320, vol=5.019121e+05
assign (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name   HN) 3.084 1.189 1.189 weight 1.000 ! spec=noe200, no=402, id=325, vol=1.101227e+06
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   14 and name   HN) 2.900 1.051 1.051 weight 1.000 ! spec=noe200, no=410, id=333, vol=1.591007e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HG1) 3.332 1.388 1.388 weight 1.000 ! spec=noe200, no=417, id=339, vol=6.912671e+05
assign (segid "   A" and resid   10 and name  HG2) (segid "   A" and resid   10 and name   HE) 3.363 1.413 1.413 weight 1.000 ! spec=noe200, no=421, id=343, vol=6.547684e+05
assign (segid "   A" and resid   10 and name  HG1) (segid "   A" and resid   10 and name   HE) 3.634 1.651 1.651 weight 1.000 ! spec=noe200, no=422, id=344, vol=4.109070e+05
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name   HE) 3.541 1.567 1.567 weight 1.000 ! spec=noe200, no=423, id=345, vol=4.801082e+05
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    4 and name  HB2) 2.752 0.946 0.946 weight 1.000 ! spec=noe200, no=433, id=354, vol=2.180596e+06
assign (segid "   A" and resid    9 and name  HD1) (segid "   A" and resid   12 and name  HA1) 3.296 1.358 1.358 weight 1.000 ! spec=noe200, no=437, id=357, vol=7.384366e+05
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid   12 and name  HA1)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    9 and name  HD1) 3.261 1.330 1.330 weight 1.000 ! spec=noe200, no=438, id=358, vol=7.864319e+05
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    9 and name  HD2)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid    9 and name  HD1) 3.500 1.531 1.531 weight 1.000 ! spec=noe200, no=439, id=359, vol=5.150301e+05
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid    9 and name  HD2)
assign (segid "   A" and resid    9 and name  HD1) (segid "   A" and resid   14 and name   HA) 3.052 1.164 1.164 weight 1.000 ! spec=noe200, no=440, id=360, vol=1.171662e+06
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HD2) 3.405 1.449 1.449 weight 1.000 ! spec=noe200, no=441, id=361, vol=6.072763e+05
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid    9 and name  HD1) (segid "   A" and resid    9 and name   HA) 2.741 0.939 0.939 weight 1.000 ! spec=noe200, no=442, id=362, vol=2.231868e+06
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid    9 and name   HA)
assign (segid "   A" and resid    4 and name  HE3) (segid "   A" and resid    4 and name   HA) 2.968 1.101 1.101 weight 1.000 ! spec=noe200, no=443, id=363, vol=1.384278e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid   14 and name  HG2) 2.793 0.975 0.975 weight 1.000 ! spec=noe200, no=448, id=367, vol=1.994275e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid   14 and name  HG1) 2.790 0.973 0.973 weight 1.000 ! spec=noe200, no=449, id=368, vol=2.008964e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG13) 2.601 0.845 0.845 weight 1.000 ! spec=noe200, no=454, id=372, vol=3.058953e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name   HA) 2.690 0.905 0.905 weight 1.000 ! spec=noe200, no=461, id=378, vol=2.497602e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid    7 and name  HB2) 3.011 1.133 1.133 weight 1.000 ! spec=noe200, no=462, id=379, vol=1.270126e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    8 and name HG13) 3.172 1.258 1.258 weight 1.000 ! spec=noe200, no=463, id=380, vol=9.296052e+05
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    8 and name HG11)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    8 and name HG12)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   15 and name HG13) 3.447 1.485 1.485 weight 1.000 ! spec=noe200, no=464, id=381, vol=5.644277e+05
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    8 and name HG21) 2.918 1.064 1.064 weight 1.000 ! spec=noe200, no=466, id=383, vol=1.533638e+06
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   15 and name HG13) 3.021 1.140 1.140 weight 1.000 ! spec=noe200, no=467, id=384, vol=1.246284e+06
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name HG21) 3.179 1.263 1.263 weight 1.000 ! spec=noe200, no=468, id=385, vol=9.177247e+05
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   13 and name   HA) 3.215 1.292 1.292 weight 1.000 ! spec=noe200, no=472, id=387, vol=8.564438e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   11 and name   HA) 3.208 1.286 1.286 weight 1.000 ! spec=noe200, no=473, id=388, vol=8.683531e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    7 and name  HB1) 3.399 1.445 1.445 weight 1.000 ! spec=noe200, no=475, id=390, vol=6.133605e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name  HB2) 3.388 1.435 1.435 weight 1.000 ! spec=noe200, no=477, id=392, vol=6.257353e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HA1) 2.266 0.642 0.642 weight 1.000 ! spec=noe200, no=481, id=396, vol=7.000509e+06
assign (segid "   A" and resid   14 and name  HG1) (segid "   A" and resid   14 and name   HA) 2.763 0.954 0.954 weight 1.000 ! spec=noe200, no=484, id=399, vol=2.127871e+06
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   20 and name   HN) 3.120 1.217 1.217 weight 1.000 ! spec=noe200, no=488, id=403, vol=1.026388e+06
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   20 and name   HN) 3.018 1.138 1.138 weight 1.000 ! spec=noe200, no=492, id=404, vol=1.253395e+06
assign (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid    6 and name   HB) 3.412 1.455 1.455 weight 1.000 ! spec=noe200, no=495, id=405, vol=6.002353e+05
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   12 and name   HN) 3.046 1.160 1.160 weight 1.000 ! spec=noe200, no=497, id=407, vol=1.184601e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HD1) 3.301 1.362 1.362 weight 1.000 ! spec=noe200, no=500, id=408, vol=7.319655e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid   18 and name   HA) 2.937 1.078 1.078 weight 1.000 ! spec=noe200, no=501, id=409, vol=1.475969e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HG1) 3.187 1.270 1.270 weight 1.000 ! spec=noe200, no=502, id=410, vol=9.026506e+05
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   18 and name   HN) 2.633 0.867 0.867 weight 1.000 ! spec=noe200, no=511, id=413, vol=2.840754e+06
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name   HN) 2.838 1.007 1.007 weight 1.000 ! spec=noe200, no=512, id=414, vol=1.811394e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid    9 and name   HA) 2.771 0.959 0.959 weight 1.000 ! spec=noe200, no=515, id=417, vol=2.093165e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   16 and name  HB1) 3.398 1.443 1.443 weight 1.000 ! spec=noe200, no=517, id=419, vol=6.147886e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   16 and name  HB1) 3.031 1.149 1.149 weight 1.000 ! spec=noe200, no=521, id=420, vol=1.219975e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   20 and name  HB2) 3.259 1.328 1.328 weight 1.000 ! spec=noe200, no=524, id=423, vol=7.896360e+05
    or (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   20 and name  HB1)
    or (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   20 and name  HB3)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HN) 2.767 0.957 0.957 weight 1.000 ! spec=noe200, no=529, id=424, vol=2.108952e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   18 and name   HN) 4.861 2.953 2.953 weight 1.000 ! spec=noe200, no=535, id=427, vol=7.177845e+04
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HN) 4.521 2.555 2.555 weight 1.000 ! spec=noe200, no=537, id=429, vol=1.108805e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HN) 4.516 2.549 2.549 weight 1.000 ! spec=noe200, no=539, id=430, vol=1.115728e+05
# Restraints file 4: ambig.tbl
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    4 and name  HB2) 2.522 0.795 0.795 weight 1.000 ! spec=noe200, no=25, id=22, vol=3.677800e+06
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB1) 2.566 0.823 0.823 weight 1.000 ! spec=noe200, no=35, id=28, vol=3.319459e+06
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HB2) 2.667 0.889 0.889 weight 1.000 ! spec=noe200, no=36, id=29, vol=2.631127e+06
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HB2)
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HB1)
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HB1)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB1) 2.361 0.697 0.697 weight 1.000 ! spec=noe200, no=41, id=34, vol=5.467522e+06
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid    5 and name HD22) (segid "   A" and resid    5 and name  HB2) 2.728 0.930 0.930 weight 1.000 ! spec=noe200, no=42, id=35, vol=2.298695e+06
    or (segid "   A" and resid    5 and name HD22) (segid "   A" and resid    5 and name  HB1)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB1) 2.331 0.679 0.679 weight 1.000 ! spec=noe200, no=51, id=44, vol=5.894237e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HG1)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HG21) 2.560 0.819 0.819 weight 1.000 ! spec=noe200, no=60, id=53, vol=3.363352e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HG11)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HG13)
assign (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid    6 and name HG11) 2.774 0.962 0.962 weight 1.000 ! spec=noe200, no=61, id=54, vol=2.078121e+06
    or (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid    6 and name HG13)
    or (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid    6 and name HG21)
    or (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid    6 and name HG22)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG21) 2.426 0.736 0.736 weight 1.000 ! spec=noe200, no=62, id=55, vol=4.638395e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG11)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG13)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG12) 2.125 0.564 0.564 weight 1.000 ! spec=noe200, no=117, id=88, vol=1.028891e+07
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG11)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG13)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG22)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG11) 2.113 0.558 0.558 weight 1.000 ! spec=noe200, no=119, id=90, vol=1.064755e+07
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG13)
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG21)
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG22)
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HG2) 2.574 0.828 0.828 weight 1.000 ! spec=noe200, no=122, id=93, vol=3.256066e+06
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HG2)
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG12) 1.992 0.496 0.496 weight 1.000 ! spec=noe200, no=123, id=94, vol=1.512802e+07
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG11)
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG13)
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG22)
assign (segid "   A" and resid    6 and name   HB) (segid "   A" and resid    6 and name HG21) 2.006 0.503 0.503 weight 1.000 ! spec=noe200, no=128, id=99, vol=1.451279e+07
    or (segid "   A" and resid    6 and name   HB) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    6 and name   HB) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid    6 and name   HB) (segid "   A" and resid    6 and name HG11)
    or (segid "   A" and resid    6 and name   HB) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid    6 and name   HB) (segid "   A" and resid    6 and name HG13)
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HB2) 2.557 0.817 0.817 weight 1.000 ! spec=noe200, no=140, id=109, vol=3.384357e+06
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HB1) 2.494 0.777 0.777 weight 1.000 ! spec=noe200, no=143, id=110, vol=3.937284e+06
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HB1) 1.572 0.309 0.309 weight 1.000 ! spec=noe200, no=145, id=111, vol=6.264898e+07
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    6 and name HG11) 3.705 1.716 1.716 weight 1.000 ! spec=noe200, no=227, id=176, vol=3.658810e+05
    or (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    6 and name HG13)
    or (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    6 and name HG21)
    or (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    6 and name HG22)
assign (segid "   A" and resid    4 and name  HZ2) (segid "   A" and resid    2 and name  HB2) 3.404 1.449 1.449 weight 1.000 ! spec=noe200, no=287, id=223, vol=6.082378e+05
    or (segid "   A" and resid    4 and name  HZ2) (segid "   A" and resid    2 and name  HB1)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.346 1.400 1.400 weight 1.000 ! spec=noe200, no=288, id=224, vol=6.740210e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB2) 2.905 1.055 1.055 weight 1.000 ! spec=noe200, no=289, id=225, vol=1.574970e+06
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB1)
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    2 and name  HB2) 3.440 1.479 1.479 weight 1.000 ! spec=noe200, no=290, id=226, vol=5.717169e+05
    or (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    2 and name  HB1)
assign (segid "   A" and resid    5 and name HD21) (segid "   A" and resid    5 and name  HB2) 3.109 1.208 1.208 weight 1.000 ! spec=noe200, no=294, id=230, vol=1.048364e+06
    or (segid "   A" and resid    5 and name HD21) (segid "   A" and resid    5 and name  HB1)
assign (segid "   A" and resid    9 and name  HE2) (segid "   A" and resid   14 and name  HD1) 2.886 1.041 1.041 weight 1.000 ! spec=noe200, no=296, id=231, vol=1.637374e+06
    or (segid "   A" and resid    9 and name  HE1) (segid "   A" and resid   14 and name  HD1)
    or (segid "   A" and resid    9 and name  HE2) (segid "   A" and resid   14 and name  HD2)
    or (segid "   A" and resid    9 and name  HE1) (segid "   A" and resid   14 and name  HD2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HD1) 3.379 1.427 1.427 weight 1.000 ! spec=noe200, no=307, id=239, vol=6.357114e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HD2)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HD2) 3.194 1.275 1.275 weight 1.000 ! spec=noe200, no=309, id=241, vol=8.912370e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HD1)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HD2) 3.127 1.222 1.222 weight 1.000 ! spec=noe200, no=310, id=242, vol=1.013455e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HD1)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    5 and name  HB1) 3.471 1.506 1.506 weight 1.000 ! spec=noe200, no=316, id=247, vol=5.408598e+05
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid    8 and name HG21) 2.838 1.007 1.007 weight 1.000 ! spec=noe200, no=328, id=259, vol=1.810145e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG21)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   15 and name HG22) 2.789 0.973 0.973 weight 1.000 ! spec=noe200, no=331, id=262, vol=2.009847e+06
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    6 and name HG11)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    6 and name HG13)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    6 and name HG21)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid    6 and name HG22)
assign (segid "   A" and resid    9 and name  HD1) (segid "   A" and resid   14 and name  HG2) 3.114 1.212 1.212 weight 1.000 ! spec=noe200, no=346, id=274, vol=1.037872e+06
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid   14 and name  HG2)
    or (segid "   A" and resid    9 and name  HD1) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid    9 and name  HD1) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid    9 and name  HD1) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid    9 and name  HD2) (segid "   A" and resid   13 and name HG22)
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   15 and name HG22) 2.864 1.025 1.025 weight 1.000 ! spec=noe200, no=352, id=277, vol=1.716217e+06
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    6 and name HG21)
    or (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    6 and name HG22)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB2) 3.267 1.334 1.334 weight 1.000 ! spec=noe200, no=395, id=318, vol=7.789672e+05
    or (segid "   A" and resid   10 and name  HG2) (segid "   A" and resid   11 and name   HN)
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    6 and name HG21) 3.332 1.388 1.388 weight 1.000 ! spec=noe200, no=445, id=364, vol=6.917241e+05
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    6 and name HG11)
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    6 and name HG13)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   15 and name HG22) 3.124 1.220 1.220 weight 1.000 ! spec=noe200, no=446, id=365, vol=1.017766e+06
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid    6 and name HG21) 3.163 1.251 1.251 weight 1.000 ! spec=noe200, no=447, id=366, vol=9.451846e+05
    or (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid    6 and name HG21)
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid    6 and name HG11)
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid    6 and name HG13)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   15 and name HG22) 2.997 1.123 1.123 weight 1.000 ! spec=noe200, no=465, id=382, vol=1.305437e+06
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid    8 and name HG21)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid    8 and name HG23)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid    8 and name HG22)
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name HG11) 3.026 1.144 1.144 weight 1.000 ! spec=noe200, no=469, id=386, vol=1.233636e+06
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name HG13)
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name HG21)
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name HG22)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HD2) 3.229 1.303 1.303 weight 1.000 ! spec=noe200, no=476, id=391, vol=8.354607e+05
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HD1)
assign (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   19 and name  HB2) 2.935 1.077 1.077 weight 1.000 ! spec=noe200, no=482, id=397, vol=1.479842e+06
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   19 and name  HB2)
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HB1) 2.877 1.035 1.035 weight 1.000 ! spec=noe200, no=483, id=398, vol=1.668992e+06
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HD1) 3.294 1.356 1.356 weight 1.000 ! spec=noe200, no=485, id=400, vol=7.411645e+05
    or (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HD2)
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HD2) 2.948 1.086 1.086 weight 1.000 ! spec=noe200, no=486, id=401, vol=1.443541e+06
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HD1)
assign (segid "   A" and resid    6 and name HG21) (segid "   A" and resid   19 and name   HA) 2.874 1.032 1.032 weight 1.000 ! spec=noe200, no=487, id=402, vol=1.680514e+06
    or (segid "   A" and resid    6 and name HG23) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid    6 and name HG22) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid    6 and name HG11) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid    6 and name HG12) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid    6 and name HG13) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name   HN) 3.075 1.182 1.182 weight 1.000 ! spec=noe200, no=496, id=406, vol=1.118590e+06
    or (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name   HN)
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    6 and name   HN) 2.752 0.946 0.946 weight 1.000 ! spec=noe200, no=510, id=412, vol=2.180372e+06
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    6 and name   HN)
assign (segid "   A" and resid   19 and name   HE) (segid "   A" and resid    6 and name HG21) 3.471 1.506 1.506 weight 1.000 ! spec=noe200, no=533, id=425, vol=5.409198e+05
    or (segid "   A" and resid   19 and name   HE) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid   19 and name   HE) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid   19 and name   HE) (segid "   A" and resid    6 and name HG11)
    or (segid "   A" and resid   19 and name   HE) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid   19 and name   HE) (segid "   A" and resid    6 and name HG13)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name HG21) 3.552 1.577 1.577 weight 1.000 ! spec=noe200, no=534, id=426, vol=4.711351e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name HG11)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name HG13)
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1 -15.144   3.881  -2.181
    2    H2   GLY   1           HT2      GLY   1 -16.256   2.621  -2.004
    3    H3   GLY   1           HT3      GLY   1 -16.156   3.463  -3.467
    4    HA2  GLY   1           HA1      GLY   1 -15.089   1.277  -3.597
    5    HA3  GLY   1           HA2      GLY   1 -13.984   2.608  -3.911
    6    H    PHE   2           HN       PHE   2 -12.410   0.846  -3.358
    7    HA   PHE   2           HA       PHE   2 -11.883   0.961  -0.471
    8    HB2  PHE   2           HB2      PHE   2 -11.009  -1.317  -0.514
    9    HB3  PHE   2           HB1      PHE   2 -12.687  -1.296  -1.029
   10    HD1  PHE   2           HD1      PHE   2 -13.134  -1.321  -3.557
   11    HD2  PHE   2           HD2      PHE   2  -9.395  -2.368  -1.816
   12    HE1  PHE   2           HE1      PHE   2 -12.529  -2.543  -5.605
   13    HE2  PHE   2           HE2      PHE   2  -8.782  -3.593  -3.859
   14    HZ   PHE   2           HZ       PHE   2 -10.337  -3.707  -5.736
   15    H    ALA   3           HN       ALA   3 -10.978   2.713  -2.448
   16    HA   ALA   3           HA       ALA   3  -8.333   1.899  -3.259
   17    HB1  ALA   3           HB1      ALA   3  -9.720   4.564  -3.534
   18    HB2  ALA   3           HB2      ALA   3  -9.691   3.278  -4.741
   19    HB3  ALA   3           HB3      ALA   3  -8.198   4.107  -4.298
   20    H    TRP   4           HN       TRP   4  -7.421   1.529  -1.178
   21    HA   TRP   4           HA       TRP   4  -6.417   4.034  -0.016
   22    HB2  TRP   4           HB2      TRP   4  -5.747   2.182   1.854
   23    HB3  TRP   4           HB1      TRP   4  -7.191   3.181   1.927
   24    HD1  TRP   4           HD1      TRP   4  -6.210  -0.315   0.530
   25    HE1  TRP   4           HE1      TRP   4  -8.222  -1.886   0.899
   26    HE3  TRP   4           HE3      TRP   4  -9.464   3.034   2.566
   27    HZ2  TRP   4           HZ2      TRP   4 -10.852  -1.708   1.941
   28    HZ3  TRP   4           HZ3      TRP   4 -11.706   2.263   3.235
   29    HH2  TRP   4           HH2      TRP   4 -12.383  -0.062   2.926
   30    H    ASN   5           HN       ASN   5  -4.413   4.450  -0.544
   31    HA   ASN   5           HA       ASN   5  -2.839   2.384  -1.820
   32    HB2  ASN   5           HB2      ASN   5  -2.390   5.354  -1.460
   33    HB3  ASN   5           HB1      ASN   5  -1.231   4.291  -2.249
   34   HD21  ASN   5          HD21      ASN   5  -4.341   5.820  -2.479
   35   HD22  ASN   5          HD22      ASN   5  -4.590   5.505  -4.162
   36    H    VAL   6           HN       VAL   6  -1.867   1.057  -0.505
   37    HA   VAL   6           HA       VAL   6  -0.638   1.995   1.962
   38    HB   VAL   6           HB       VAL   6  -0.865  -0.796   0.806
   39   HG11  VAL   6          HG11      VAL   6   1.080  -0.614   2.255
   40   HG12  VAL   6          HG12      VAL   6  -0.182  -1.564   3.041
   41   HG13  VAL   6          HG13      VAL   6   0.089   0.108   3.524
   42   HG21  VAL   6          HG21      VAL   6  -2.409   0.548   3.019
   43   HG22  VAL   6          HG22      VAL   6  -2.547  -1.148   2.557
   44   HG23  VAL   6          HG23      VAL   6  -3.026   0.117   1.425
   45    H    CYS   7           HN       CYS   7   1.175   3.089   1.456
   46    HA   CYS   7           HA       CYS   7   3.074   1.949  -0.447
   47    HB2  CYS   7           HB2      CYS   7   3.269   4.557   1.059
   48    HB3  CYS   7           HB1      CYS   7   4.230   4.062  -0.325
   49    H    VAL   8           HN       VAL   8   4.803   0.840   0.165
   50    HA   VAL   8           HA       VAL   8   5.730   1.093   2.946
   51    HB   VAL   8           HB       VAL   8   6.114  -1.391   2.988
   52   HG11  VAL   8          HG11      VAL   8   3.785  -1.939   3.549
   53   HG12  VAL   8          HG12      VAL   8   3.262  -0.436   2.789
   54   HG13  VAL   8          HG13      VAL   8   4.290  -0.388   4.222
   55   HG21  VAL   8          HG21      VAL   8   4.278  -1.344   0.596
   56   HG22  VAL   8          HG22      VAL   8   4.773  -2.786   1.479
   57   HG23  VAL   8          HG23      VAL   8   5.971  -1.835   0.599
   58    H    TYR   9           HN       TYR   9   7.914   0.385   3.284
   59    HA   TYR   9           HA       TYR   9   9.547   0.941   0.942
   60    HB2  TYR   9           HB2      TYR   9  10.255   0.760   3.876
   61    HB3  TYR   9           HB1      TYR   9  11.373   1.198   2.594
   62    HD1  TYR   9           HD1      TYR   9  11.197   3.361   1.467
   63    HD2  TYR   9           HD2      TYR   9   8.570   2.319   4.647
   64    HE1  TYR   9           HE1      TYR   9  10.517   5.714   1.671
   65    HE2  TYR   9           HE2      TYR   9   7.884   4.671   4.860
   66    HH   TYR   9           HH       TYR   9   8.668   6.876   4.320
   67    H    ARG  10           HN       ARG  10   9.968  -0.801  -0.244
   68    HA   ARG  10           HA       ARG  10  10.543  -3.332   1.156
   69    HB2  ARG  10           HB2      ARG  10   8.535  -3.312  -0.329
   70    HB3  ARG  10           HB1      ARG  10   9.593  -2.944  -1.684
   71    HG2  ARG  10           HG2      ARG  10  10.795  -5.070  -1.260
   72    HG3  ARG  10           HG1      ARG  10   9.603  -5.446  -0.011
   73    HD2  ARG  10           HD2      ARG  10   8.984  -6.553  -2.058
   74    HD3  ARG  10           HD1      ARG  10   7.825  -5.269  -1.715
   75    HE   ARG  10           HE       ARG  10  10.044  -4.721  -3.548
   76   HH11  ARG  10          HH11      ARG  10   6.616  -5.248  -3.062
   77   HH12  ARG  10          HH12      ARG  10   6.177  -4.608  -4.612
   78   HH21  ARG  10          HH21      ARG  10   9.465  -3.877  -5.572
   79   HH22  ARG  10          HH22      ARG  10   7.795  -3.812  -6.034
   80    H    ASN  11           HN       ASN  11  12.689  -3.458   1.343
   81    HA   ASN  11           HA       ASN  11  14.884  -3.666   0.791
   82    HB2  ASN  11           HB2      ASN  11  13.698  -3.962  -1.969
   83    HB3  ASN  11           HB1      ASN  11  15.430  -4.045  -1.682
   84   HD21  ASN  11          HD21      ASN  11  13.081  -5.282   0.600
   85   HD22  ASN  11          HD22      ASN  11  13.443  -6.954   0.350
   86    H    GLY  12           HN       GLY  12  13.577  -1.050   0.947
   87    HA2  GLY  12           HA2      GLY  12  14.968   0.923   1.072
   88    HA3  GLY  12           HA1      GLY  12  15.686   0.451  -0.458
   89    H    VAL  13           HN       VAL  13  12.996  -0.209  -1.597
   90    HA   VAL  13           HA       VAL  13  12.421   2.562  -2.344
   91    HB   VAL  13           HB       VAL  13  13.050   1.119  -4.172
   92   HG11  VAL  13          HG11      VAL  13  10.655  -0.551  -3.448
   93   HG12  VAL  13          HG12      VAL  13  12.349  -1.032  -3.331
   94   HG13  VAL  13          HG13      VAL  13  11.623  -0.739  -4.911
   95   HG21  VAL  13          HG21      VAL  13  11.501   2.917  -4.655
   96   HG22  VAL  13          HG22      VAL  13  10.137   1.862  -4.283
   97   HG23  VAL  13          HG23      VAL  13  11.161   1.522  -5.678
   98    H    ARG  14           HN       ARG  14  10.552   3.513  -2.016
   99    HA   ARG  14           HA       ARG  14   8.511   2.194  -0.480
  100    HB2  ARG  14           HB2      ARG  14   9.132   4.514  -0.025
  101    HB3  ARG  14           HB1      ARG  14   8.658   4.972  -1.654
  102    HG2  ARG  14           HG2      ARG  14   6.352   4.390  -1.162
  103    HG3  ARG  14           HG1      ARG  14   6.819   3.892   0.469
  104    HD2  ARG  14           HD2      ARG  14   5.932   6.108   0.586
  105    HD3  ARG  14           HD1      ARG  14   7.674   6.179   0.854
  106    HE   ARG  14           HE       ARG  14   7.304   6.603  -1.843
  107   HH11  ARG  14          HH11      ARG  14   6.271   8.138   1.122
  108   HH12  ARG  14          HH12      ARG  14   6.288   9.738   0.451
  109   HH21  ARG  14          HH21      ARG  14   7.300   8.704  -2.742
  110   HH22  ARG  14          HH22      ARG  14   6.866  10.057  -1.750
  111    H    VAL  15           HN       VAL  15   7.116   0.913  -1.442
  112    HA   VAL  15           HA       VAL  15   6.226   1.570  -4.166
  113    HB   VAL  15           HB       VAL  15   7.307  -0.617  -3.932
  114   HG11  VAL  15          HG11      VAL  15   6.770  -1.117  -1.626
  115   HG12  VAL  15          HG12      VAL  15   6.247  -2.429  -2.684
  116   HG13  VAL  15          HG13      VAL  15   5.063  -1.288  -2.044
  117   HG21  VAL  15          HG21      VAL  15   5.564  -1.972  -4.992
  118   HG22  VAL  15          HG22      VAL  15   5.604  -0.332  -5.638
  119   HG23  VAL  15          HG23      VAL  15   4.353  -0.796  -4.485
  120    H    CYS  16           HN       CYS  16   4.143   2.021  -4.547
  121    HA   CYS  16           HA       CYS  16   2.296   1.891  -2.271
  122    HB2  CYS  16           HB2      CYS  16   2.201   3.603  -4.757
  123    HB3  CYS  16           HB1      CYS  16   0.979   3.601  -3.492
  124    H    HIS  17           HN       HIS  17   0.471   0.758  -2.375
  125    HA   HIS  17           HA       HIS  17  -0.514  -0.233  -4.922
  126    HB2  HIS  17           HB2      HIS  17  -0.692  -2.563  -4.008
  127    HB3  HIS  17           HB1      HIS  17   0.940  -2.038  -4.360
  128    HD1  HIS  17           HD1      HIS  17   2.591  -2.461  -2.548
  129    HD2  HIS  17           HD2      HIS  17  -1.305  -2.359  -1.112
  130    HE1  HIS  17           HE1      HIS  17   2.755  -3.043  -0.112
  131    HE2  HIS  17           HE2      HIS  17   0.366  -3.200   0.667
  132    H    ARG  18           HN       ARG  18  -2.622  -1.278  -4.699
  133    HA   ARG  18           HA       ARG  18  -4.159   0.080  -2.598
  134    HB2  ARG  18           HB2      ARG  18  -5.068  -1.240  -5.167
  135    HB3  ARG  18           HB1      ARG  18  -6.158  -0.544  -3.978
  136    HG2  ARG  18           HG2      ARG  18  -5.959   1.081  -5.642
  137    HG3  ARG  18           HG1      ARG  18  -4.907   1.642  -4.343
  138    HD2  ARG  18           HD2      ARG  18  -2.968   0.731  -5.522
  139    HD3  ARG  18           HD1      ARG  18  -4.020   0.161  -6.813
  140    HE   ARG  18           HE       ARG  18  -4.344   2.947  -6.419
  141   HH11  ARG  18          HH11      ARG  18  -2.161   0.586  -7.800
  142   HH12  ARG  18          HH12      ARG  18  -1.461   1.702  -8.929
  143   HH21  ARG  18          HH21      ARG  18  -3.426   4.420  -7.925
  144   HH22  ARG  18          HH22      ARG  18  -2.181   3.873  -9.002
  145    H    ARG  19           HN       ARG  19  -4.597  -1.054  -0.836
  146    HA   ARG  19           HA       ARG  19  -4.167  -3.855  -0.676
  147    HB2  ARG  19           HB2      ARG  19  -3.964  -2.368   1.285
  148    HB3  ARG  19           HB1      ARG  19  -5.698  -2.096   1.229
  149    HG2  ARG  19           HG2      ARG  19  -6.060  -4.508   1.604
  150    HG3  ARG  19           HG1      ARG  19  -4.317  -4.707   1.780
  151    HD2  ARG  19           HD2      ARG  19  -4.305  -3.232   3.693
  152    HD3  ARG  19           HD1      ARG  19  -6.024  -2.900   3.486
  153    HE   ARG  19           HE       ARG  19  -5.310  -5.686   3.882
  154   HH11  ARG  19          HH11      ARG  19  -6.384  -2.696   5.342
  155   HH12  ARG  19          HH12      ARG  19  -7.050  -3.468   6.744
  156   HH21  ARG  19          HH21      ARG  19  -6.173  -6.709   5.734
  157   HH22  ARG  19          HH22      ARG  19  -6.929  -5.755   6.970
  158    H    ALA  20           HN       ALA  20  -5.378  -5.308  -1.600
  159    HA   ALA  20           HA       ALA  20  -8.239  -4.826  -1.973
  160    HB1  ALA  20           HB1      ALA  20  -6.468  -6.936  -3.206
  161    HB2  ALA  20           HB2      ALA  20  -6.936  -5.415  -3.966
  162    HB3  ALA  20           HB3      ALA  20  -8.159  -6.633  -3.605
  163    H    ASN  21           HN       ASN  21  -8.600  -5.207   0.312
  164    HA   ASN  21           HA       ASN  21  -8.279  -7.964   1.213
  165    HB2  ASN  21           HB2      ASN  21  -7.684  -6.129   2.763
  166    HB3  ASN  21           HB1      ASN  21  -9.345  -5.549   2.699
  167   HD21  ASN  21          HD21      ASN  21 -10.937  -6.646   3.801
  168   HD22  ASN  21          HD22      ASN  21 -10.592  -7.881   4.961
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1 -15.511   3.874   0.738
    2    H2   GLY   1           HT2      GLY   1 -16.359   3.909  -0.721
    3    H3   GLY   1           HT3      GLY   1 -14.711   4.289  -0.692
    4    HA2  GLY   1           HA1      GLY   1 -15.890   1.639  -0.086
    5    HA3  GLY   1           HA2      GLY   1 -15.057   2.074  -1.571
    6    H    PHE   2           HN       PHE   2 -13.892   0.047  -0.654
    7    HA   PHE   2           HA       PHE   2 -11.921   0.749   1.373
    8    HB2  PHE   2           HB2      PHE   2 -11.249  -1.693   1.119
    9    HB3  PHE   2           HB1      PHE   2 -12.842  -1.380   1.802
   10    HD1  PHE   2           HD1      PHE   2 -14.859  -1.903   0.538
   11    HD2  PHE   2           HD2      PHE   2 -10.994  -2.705  -1.049
   12    HE1  PHE   2           HE1      PHE   2 -15.865  -3.350  -1.175
   13    HE2  PHE   2           HE2      PHE   2 -11.996  -4.154  -2.763
   14    HZ   PHE   2           HZ       PHE   2 -14.452  -4.489  -2.806
   15    H    ALA   3           HN       ALA   3 -11.750   2.047  -1.120
   16    HA   ALA   3           HA       ALA   3  -9.437   0.840  -2.410
   17    HB1  ALA   3           HB1      ALA   3 -11.091   1.852  -3.866
   18    HB2  ALA   3           HB2      ALA   3  -9.569   2.742  -3.961
   19    HB3  ALA   3           HB3      ALA   3 -10.913   3.393  -3.026
   20    H    TRP   4           HN       TRP   4  -7.976   0.962  -0.695
   21    HA   TRP   4           HA       TRP   4  -6.945   3.671  -0.281
   22    HB2  TRP   4           HB2      TRP   4  -5.868   2.387   1.801
   23    HB3  TRP   4           HB1      TRP   4  -7.402   3.235   1.888
   24    HD1  TRP   4           HD1      TRP   4  -6.212  -0.405   1.166
   25    HE1  TRP   4           HE1      TRP   4  -7.889  -2.005   2.270
   26    HE3  TRP   4           HE3      TRP   4  -9.508   3.045   2.940
   27    HZ2  TRP   4           HZ2      TRP   4 -10.316  -1.814   3.720
   28    HZ3  TRP   4           HZ3      TRP   4 -11.491   2.262   4.179
   29    HH2  TRP   4           HH2      TRP   4 -11.884  -0.117   4.556
   30    H    ASN   5           HN       ASN   5  -4.991   4.024  -1.069
   31    HA   ASN   5           HA       ASN   5  -3.413   1.808  -2.042
   32    HB2  ASN   5           HB2      ASN   5  -1.863   3.511  -2.892
   33    HB3  ASN   5           HB1      ASN   5  -3.514   3.865  -3.380
   34   HD21  ASN   5          HD21      ASN   5  -4.515   5.692  -2.619
   35   HD22  ASN   5          HD22      ASN   5  -3.681   6.923  -1.733
   36    H    VAL   6           HN       VAL   6  -1.479   1.114  -1.236
   37    HA   VAL   6           HA       VAL   6  -0.674   2.232   1.354
   38    HB   VAL   6           HB       VAL   6  -1.788   0.238   1.960
   39   HG11  VAL   6          HG11      VAL   6  -1.397  -1.930   0.930
   40   HG12  VAL   6          HG12      VAL   6  -0.291  -1.180  -0.223
   41   HG13  VAL   6          HG13      VAL   6  -2.003  -0.753  -0.235
   42   HG21  VAL   6          HG21      VAL   6  -0.028  -1.206   2.839
   43   HG22  VAL   6          HG22      VAL   6   0.377   0.498   3.052
   44   HG23  VAL   6          HG23      VAL   6   1.141  -0.437   1.765
   45    H    CYS   7           HN       CYS   7   1.275   3.011   1.220
   46    HA   CYS   7           HA       CYS   7   3.186   1.889  -0.692
   47    HB2  CYS   7           HB2      CYS   7   3.463   4.375   0.998
   48    HB3  CYS   7           HB1      CYS   7   4.475   3.903  -0.359
   49    H    VAL   8           HN       VAL   8   4.854   0.676  -0.057
   50    HA   VAL   8           HA       VAL   8   5.585   0.752   2.794
   51    HB   VAL   8           HB       VAL   8   6.111  -1.708   2.640
   52   HG11  VAL   8          HG11      VAL   8   3.227  -0.883   2.343
   53   HG12  VAL   8          HG12      VAL   8   4.164  -0.907   3.837
   54   HG13  VAL   8          HG13      VAL   8   3.790  -2.417   3.006
   55   HG21  VAL   8          HG21      VAL   8   6.124  -1.925   0.209
   56   HG22  VAL   8          HG22      VAL   8   4.402  -1.544   0.160
   57   HG23  VAL   8          HG23      VAL   8   4.957  -3.027   0.938
   58    H    TYR   9           HN       TYR   9   7.746   0.262   3.262
   59    HA   TYR   9           HA       TYR   9   9.533   0.809   1.010
   60    HB2  TYR   9           HB2      TYR   9   9.826   1.221   3.987
   61    HB3  TYR   9           HB1      TYR   9  11.175   1.368   2.871
   62    HD1  TYR   9           HD1      TYR   9  11.605   3.415   1.838
   63    HD2  TYR   9           HD2      TYR   9   7.752   2.700   3.492
   64    HE1  TYR   9           HE1      TYR   9  10.978   5.748   1.378
   65    HE2  TYR   9           HE2      TYR   9   7.116   5.029   3.039
   66    HH   TYR   9           HH       TYR   9   9.143   7.160   1.159
   67    H    ARG  10           HN       ARG  10  10.253  -0.995   0.141
   68    HA   ARG  10           HA       ARG  10  11.178  -3.135   1.941
   69    HB2  ARG  10           HB2      ARG  10   9.770  -3.382  -0.721
   70    HB3  ARG  10           HB1      ARG  10  10.611  -4.718   0.055
   71    HG2  ARG  10           HG2      ARG  10   9.118  -4.505   1.995
   72    HG3  ARG  10           HG1      ARG  10   8.254  -3.210   1.167
   73    HD2  ARG  10           HD2      ARG  10   7.513  -4.694  -0.544
   74    HD3  ARG  10           HD1      ARG  10   8.570  -5.982   0.034
   75    HE   ARG  10           HE       ARG  10   6.985  -5.473   2.169
   76   HH11  ARG  10          HH11      ARG  10   6.304  -6.200  -1.188
   77   HH12  ARG  10          HH12      ARG  10   4.812  -7.009  -0.840
   78   HH21  ARG  10          HH21      ARG  10   5.036  -6.553   2.630
   79   HH22  ARG  10          HH22      ARG  10   4.085  -7.207   1.335
   80    H    ASN  11           HN       ASN  11  13.245  -3.544   1.781
   81    HA   ASN  11           HA       ASN  11  15.401  -3.563   1.083
   82    HB2  ASN  11           HB2      ASN  11  14.184  -3.605  -1.691
   83    HB3  ASN  11           HB1      ASN  11  15.863  -3.966  -1.307
   84   HD21  ASN  11          HD21      ASN  11  12.600  -5.094  -1.231
   85   HD22  ASN  11          HD22      ASN  11  12.949  -6.729  -0.795
   86    H    GLY  12           HN       GLY  12  13.951  -1.027   1.465
   87    HA2  GLY  12           HA2      GLY  12  14.954   1.096   1.604
   88    HA3  GLY  12           HA1      GLY  12  16.014   0.661   0.277
   89    H    VAL  13           HN       VAL  13  13.317  -0.295  -1.071
   90    HA   VAL  13           HA       VAL  13  12.904   2.346  -2.276
   91    HB   VAL  13           HB       VAL  13  13.567   0.429  -3.742
   92   HG11  VAL  13          HG11      VAL  13  12.291  -1.351  -2.710
   93   HG12  VAL  13          HG12      VAL  13  11.861  -1.191  -4.414
   94   HG13  VAL  13          HG13      VAL  13  10.784  -0.558  -3.169
   95   HG21  VAL  13          HG21      VAL  13  10.935   1.748  -4.363
   96   HG22  VAL  13          HG22      VAL  13  11.990   0.965  -5.540
   97   HG23  VAL  13          HG23      VAL  13  12.541   2.405  -4.683
   98    H    ARG  14           HN       ARG  14  10.882   3.208  -2.614
   99    HA   ARG  14           HA       ARG  14   8.829   2.266  -0.757
  100    HB2  ARG  14           HB2      ARG  14   9.372   4.585  -0.490
  101    HB3  ARG  14           HB1      ARG  14   9.229   4.880  -2.216
  102    HG2  ARG  14           HG2      ARG  14   6.820   4.421  -2.080
  103    HG3  ARG  14           HG1      ARG  14   6.980   4.190  -0.337
  104    HD2  ARG  14           HD2      ARG  14   7.685   6.472  -0.052
  105    HD3  ARG  14           HD1      ARG  14   7.724   6.720  -1.796
  106    HE   ARG  14           HE       ARG  14   5.298   6.462  -1.785
  107   HH11  ARG  14          HH11      ARG  14   6.863   7.144   1.283
  108   HH12  ARG  14          HH12      ARG  14   5.434   7.819   1.995
  109   HH21  ARG  14          HH21      ARG  14   3.426   7.349  -0.846
  110   HH22  ARG  14          HH22      ARG  14   3.478   7.933   0.787
  111    H    VAL  15           HN       VAL  15   7.312   0.978  -1.550
  112    HA   VAL  15           HA       VAL  15   6.508   1.378  -4.351
  113    HB   VAL  15           HB       VAL  15   7.557  -0.776  -4.062
  114   HG11  VAL  15          HG11      VAL  15   6.615  -2.515  -2.631
  115   HG12  VAL  15          HG12      VAL  15   5.472  -1.342  -1.975
  116   HG13  VAL  15          HG13      VAL  15   7.203  -1.137  -1.702
  117   HG21  VAL  15          HG21      VAL  15   5.745  -0.637  -5.664
  118   HG22  VAL  15          HG22      VAL  15   4.574  -1.016  -4.400
  119   HG23  VAL  15          HG23      VAL  15   5.758  -2.225  -4.899
  120    H    CYS  16           HN       CYS  16   4.605   2.257  -4.590
  121    HA   CYS  16           HA       CYS  16   2.570   1.908  -2.516
  122    HB2  CYS  16           HB2      CYS  16   2.621   3.780  -4.887
  123    HB3  CYS  16           HB1      CYS  16   1.384   3.744  -3.637
  124    H    HIS  17           HN       HIS  17   0.836   0.696  -2.825
  125    HA   HIS  17           HA       HIS  17   0.060  -0.064  -5.525
  126    HB2  HIS  17           HB2      HIS  17  -0.153  -2.475  -4.797
  127    HB3  HIS  17           HB1      HIS  17   1.484  -1.894  -5.027
  128    HD1  HIS  17           HD1      HIS  17  -0.818  -3.275  -2.484
  129    HD2  HIS  17           HD2      HIS  17   2.995  -1.629  -2.620
  130    HE1  HIS  17           HE1      HIS  17   0.204  -3.751  -0.239
  131    HE2  HIS  17           HE2      HIS  17   2.603  -3.020  -0.473
  132    H    ARG  18           HN       ARG  18  -2.019  -1.121  -5.595
  133    HA   ARG  18           HA       ARG  18  -3.806   0.288  -3.799
  134    HB2  ARG  18           HB2      ARG  18  -5.586  -0.536  -5.362
  135    HB3  ARG  18           HB1      ARG  18  -4.349   0.459  -6.113
  136    HG2  ARG  18           HG2      ARG  18  -3.275  -1.505  -7.028
  137    HG3  ARG  18           HG1      ARG  18  -4.438  -2.548  -6.207
  138    HD2  ARG  18           HD2      ARG  18  -6.249  -1.552  -7.497
  139    HD3  ARG  18           HD1      ARG  18  -5.099  -0.488  -8.301
  140    HE   ARG  18           HE       ARG  18  -4.107  -2.922  -8.861
  141   HH11  ARG  18          HH11      ARG  18  -7.323  -1.565  -9.135
  142   HH12  ARG  18          HH12      ARG  18  -7.765  -2.562 -10.484
  143   HH21  ARG  18          HH21      ARG  18  -4.682  -4.228 -10.638
  144   HH22  ARG  18          HH22      ARG  18  -6.260  -4.081 -11.340
  145    H    ARG  19           HN       ARG  19  -4.311  -0.620  -1.943
  146    HA   ARG  19           HA       ARG  19  -4.553  -3.511  -1.742
  147    HB2  ARG  19           HB2      ARG  19  -3.323  -2.351  -0.006
  148    HB3  ARG  19           HB1      ARG  19  -4.703  -1.325   0.335
  149    HG2  ARG  19           HG2      ARG  19  -5.950  -3.225   1.158
  150    HG3  ARG  19           HG1      ARG  19  -4.623  -4.310   0.733
  151    HD2  ARG  19           HD2      ARG  19  -3.167  -3.191   2.311
  152    HD3  ARG  19           HD1      ARG  19  -4.429  -2.022   2.685
  153    HE   ARG  19           HE       ARG  19  -5.637  -4.307   3.336
  154   HH11  ARG  19          HH11      ARG  19  -2.388  -3.209   4.024
  155   HH12  ARG  19          HH12      ARG  19  -2.312  -3.976   5.578
  156   HH21  ARG  19          HH21      ARG  19  -5.547  -5.323   5.388
  157   HH22  ARG  19          HH22      ARG  19  -4.119  -5.168   6.360
  158    H    ALA  20           HN       ALA  20  -6.405  -4.495  -1.935
  159    HA   ALA  20           HA       ALA  20  -8.891  -3.222  -1.123
  160    HB1  ALA  20           HB1      ALA  20  -8.641  -2.544  -3.466
  161    HB2  ALA  20           HB2      ALA  20  -9.995  -3.654  -3.263
  162    HB3  ALA  20           HB3      ALA  20  -8.474  -4.234  -3.938
  163    H    ASN  21           HN       ASN  21  -7.129  -5.513  -0.401
  164    HA   ASN  21           HA       ASN  21  -8.738  -7.829  -1.104
  165    HB2  ASN  21           HB2      ASN  21  -6.959  -9.135   0.043
  166    HB3  ASN  21           HB1      ASN  21  -6.354  -8.145  -1.276
  167   HD21  ASN  21          HD21      ASN  21  -6.283  -8.741   2.113
  168   HD22  ASN  21          HD22      ASN  21  -5.032  -7.608   2.496
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1 -16.365  -0.585  -4.909
    2    H2   GLY   1           HT2      GLY   1 -15.245   0.649  -5.191
    3    H3   GLY   1           HT3      GLY   1 -16.475   0.868  -4.056
    4    HA2  GLY   1           HA1      GLY   1 -15.552  -0.856  -2.653
    5    HA3  GLY   1           HA2      GLY   1 -14.280  -1.109  -3.841
    6    H    PHE   2           HN       PHE   2 -13.024  -0.666  -1.765
    7    HA   PHE   2           HA       PHE   2 -12.746   2.222  -1.291
    8    HB2  PHE   2           HB2      PHE   2 -11.883  -0.166   0.344
    9    HB3  PHE   2           HB1      PHE   2 -11.397   1.483   0.715
   10    HD1  PHE   2           HD1      PHE   2 -13.004   3.096   1.567
   11    HD2  PHE   2           HD2      PHE   2 -14.138  -0.917   0.717
   12    HE1  PHE   2           HE1      PHE   2 -15.075   3.410   2.857
   13    HE2  PHE   2           HE2      PHE   2 -16.211  -0.609   2.002
   14    HZ   PHE   2           HZ       PHE   2 -16.670   1.573   3.093
   15    H    ALA   3           HN       ALA   3 -11.114   3.232  -2.224
   16    HA   ALA   3           HA       ALA   3  -8.877   1.658  -3.253
   17    HB1  ALA   3           HB1      ALA   3  -9.644   4.528  -3.777
   18    HB2  ALA   3           HB2      ALA   3 -10.019   3.150  -4.813
   19    HB3  ALA   3           HB3      ALA   3  -8.343   3.643  -4.573
   20    H    TRP   4           HN       TRP   4  -7.788   1.314  -1.266
   21    HA   TRP   4           HA       TRP   4  -6.590   3.709  -0.090
   22    HB2  TRP   4           HB2      TRP   4  -5.621   1.709   1.453
   23    HB3  TRP   4           HB1      TRP   4  -7.088   2.608   1.799
   24    HD1  TRP   4           HD1      TRP   4  -6.296  -0.584  -0.309
   25    HE1  TRP   4           HE1      TRP   4  -8.110  -2.328   0.247
   26    HE3  TRP   4           HE3      TRP   4  -9.022   2.166   2.986
   27    HZ2  TRP   4           HZ2      TRP   4 -10.406  -2.500   1.903
   28    HZ3  TRP   4           HZ3      TRP   4 -11.014   1.150   4.031
   29    HH2  TRP   4           HH2      TRP   4 -11.692  -1.137   3.494
   30    H    ASN   5           HN       ASN   5  -4.684   4.304  -0.770
   31    HA   ASN   5           HA       ASN   5  -2.989   2.407  -2.196
   32    HB2  ASN   5           HB2      ASN   5  -2.625   5.388  -1.784
   33    HB3  ASN   5           HB1      ASN   5  -1.685   4.370  -2.868
   34   HD21  ASN   5          HD21      ASN   5  -4.071   2.854  -3.691
   35   HD22  ASN   5          HD22      ASN   5  -4.933   3.893  -4.770
   36    H    VAL   6           HN       VAL   6  -1.814   1.203  -0.876
   37    HA   VAL   6           HA       VAL   6  -0.765   2.343   1.594
   38    HB   VAL   6           HB       VAL   6  -1.012  -0.526   0.671
   39   HG11  VAL   6          HG11      VAL   6   0.072   0.531   3.284
   40   HG12  VAL   6          HG12      VAL   6   1.019  -0.241   2.013
   41   HG13  VAL   6          HG13      VAL   6  -0.202  -1.164   2.888
   42   HG21  VAL   6          HG21      VAL   6  -2.593  -0.696   2.551
   43   HG22  VAL   6          HG22      VAL   6  -3.118   0.470   1.337
   44   HG23  VAL   6          HG23      VAL   6  -2.402   1.032   2.847
   45    H    CYS   7           HN       CYS   7   1.115   3.248   1.377
   46    HA   CYS   7           HA       CYS   7   3.126   2.167  -0.443
   47    HB2  CYS   7           HB2      CYS   7   3.324   4.645   1.269
   48    HB3  CYS   7           HB1      CYS   7   4.318   4.223  -0.117
   49    H    VAL   8           HN       VAL   8   4.834   1.025   0.232
   50    HA   VAL   8           HA       VAL   8   5.550   1.111   3.082
   51    HB   VAL   8           HB       VAL   8   5.938  -1.369   3.025
   52   HG11  VAL   8          HG11      VAL   8   4.018  -0.432   4.165
   53   HG12  VAL   8          HG12      VAL   8   3.595  -1.964   3.403
   54   HG13  VAL   8          HG13      VAL   8   3.096  -0.443   2.662
   55   HG21  VAL   8          HG21      VAL   8   5.972  -1.669   0.606
   56   HG22  VAL   8          HG22      VAL   8   4.269  -1.218   0.519
   57   HG23  VAL   8          HG23      VAL   8   4.749  -2.695   1.355
   58    H    TYR   9           HN       TYR   9   7.712   0.316   3.512
   59    HA   TYR   9           HA       TYR   9   9.498   0.935   1.296
   60    HB2  TYR   9           HB2      TYR   9  10.041   0.536   4.244
   61    HB3  TYR   9           HB1      TYR   9  11.243   0.991   3.044
   62    HD1  TYR   9           HD1      TYR   9  11.264   3.241   2.093
   63    HD2  TYR   9           HD2      TYR   9   8.382   2.121   5.016
   64    HE1  TYR   9           HE1      TYR   9  10.715   5.610   2.450
   65    HE2  TYR   9           HE2      TYR   9   7.826   4.488   5.378
   66    HH   TYR   9           HH       TYR   9   8.721   6.667   5.063
   67    H    ARG  10           HN       ARG  10   9.698  -0.818   0.043
   68    HA   ARG  10           HA       ARG  10  10.512  -3.322   1.359
   69    HB2  ARG  10           HB2      ARG  10   8.205  -3.511   0.526
   70    HB3  ARG  10           HB1      ARG  10   8.744  -3.037  -1.079
   71    HG2  ARG  10           HG2      ARG  10  10.110  -5.050  -1.225
   72    HG3  ARG  10           HG1      ARG  10   9.593  -5.521   0.395
   73    HD2  ARG  10           HD2      ARG  10   7.278  -5.641  -0.374
   74    HD3  ARG  10           HD1      ARG  10   7.786  -5.154  -1.992
   75    HE   ARG  10           HE       ARG  10   9.295  -7.348  -1.493
   76   HH11  ARG  10          HH11      ARG  10   5.854  -6.730  -1.351
   77   HH12  ARG  10          HH12      ARG  10   5.415  -8.361  -1.735
   78   HH21  ARG  10          HH21      ARG  10   8.730  -9.487  -2.003
   79   HH22  ARG  10          HH22      ARG  10   7.057  -9.932  -2.114
   80    H    ASN  11           HN       ASN  11  12.422  -4.040   0.716
   81    HA   ASN  11           HA       ASN  11  14.371  -4.274  -0.428
   82    HB2  ASN  11           HB2      ASN  11  12.647  -3.653  -2.838
   83    HB3  ASN  11           HB1      ASN  11  14.282  -4.298  -2.898
   84   HD21  ASN  11          HD21      ASN  11  11.792  -5.395  -3.910
   85   HD22  ASN  11          HD22      ASN  11  11.619  -6.950  -3.172
   86    H    GLY  12           HN       GLY  12  13.543  -1.646   0.611
   87    HA2  GLY  12           HA2      GLY  12  14.735   0.326   0.807
   88    HA3  GLY  12           HA1      GLY  12  15.734  -0.183  -0.544
   89    H    VAL  13           HN       VAL  13  12.275  -0.104  -0.915
   90    HA   VAL  13           HA       VAL  13  12.385   2.601  -2.019
   91    HB   VAL  13           HB       VAL  13  12.725   1.039  -3.908
   92   HG11  VAL  13          HG11      VAL  13  10.879  -0.356  -4.696
   93   HG12  VAL  13          HG12      VAL  13   9.964   0.049  -3.244
   94   HG13  VAL  13          HG13      VAL  13  11.463  -0.869  -3.114
   95   HG21  VAL  13          HG21      VAL  13  11.002   1.981  -5.376
   96   HG22  VAL  13          HG22      VAL  13  11.707   3.199  -4.310
   97   HG23  VAL  13          HG23      VAL  13  10.111   2.533  -3.956
   98    H    ARG  14           HN       ARG  14  10.431   3.710  -1.977
   99    HA   ARG  14           HA       ARG  14   8.456   2.612  -0.143
  100    HB2  ARG  14           HB2      ARG  14   9.311   4.927   0.157
  101    HB3  ARG  14           HB1      ARG  14   8.623   5.358  -1.402
  102    HG2  ARG  14           HG2      ARG  14   6.383   4.801  -0.531
  103    HG3  ARG  14           HG1      ARG  14   7.109   4.479   1.043
  104    HD2  ARG  14           HD2      ARG  14   7.917   6.782   1.144
  105    HD3  ARG  14           HD1      ARG  14   7.208   7.101  -0.438
  106    HE   ARG  14           HE       ARG  14   5.472   6.230   1.757
  107   HH11  ARG  14          HH11      ARG  14   6.505   8.728  -0.467
  108   HH12  ARG  14          HH12      ARG  14   5.128   9.741  -0.172
  109   HH21  ARG  14          HH21      ARG  14   3.653   7.568   2.148
  110   HH22  ARG  14          HH22      ARG  14   3.515   9.089   1.321
  111    H    VAL  15           HN       VAL  15   7.361   1.105  -1.348
  112    HA   VAL  15           HA       VAL  15   6.338   1.873  -3.968
  113    HB   VAL  15           HB       VAL  15   7.451  -0.278  -3.827
  114   HG11  VAL  15          HG11      VAL  15   5.318  -1.061  -1.853
  115   HG12  VAL  15          HG12      VAL  15   7.032  -0.828  -1.505
  116   HG13  VAL  15          HG13      VAL  15   6.516  -2.147  -2.556
  117   HG21  VAL  15          HG21      VAL  15   4.483  -0.588  -4.250
  118   HG22  VAL  15          HG22      VAL  15   5.729  -1.686  -4.844
  119   HG23  VAL  15          HG23      VAL  15   5.651  -0.031  -5.448
  120    H    CYS  16           HN       CYS  16   4.332   2.514  -4.287
  121    HA   CYS  16           HA       CYS  16   2.363   2.144  -2.151
  122    HB2  CYS  16           HB2      CYS  16   2.256   3.951  -4.565
  123    HB3  CYS  16           HB1      CYS  16   1.087   3.912  -3.253
  124    H    HIS  17           HN       HIS  17   0.741   0.787  -2.370
  125    HA   HIS  17           HA       HIS  17  -0.184  -0.007  -5.004
  126    HB2  HIS  17           HB2      HIS  17  -0.042  -2.427  -4.420
  127    HB3  HIS  17           HB1      HIS  17   1.510  -1.662  -4.673
  128    HD1  HIS  17           HD1      HIS  17  -0.409  -3.623  -2.257
  129    HD2  HIS  17           HD2      HIS  17   2.974  -1.210  -2.195
  130    HE1  HIS  17           HE1      HIS  17   0.762  -4.158  -0.104
  131    HE2  HIS  17           HE2      HIS  17   2.924  -2.881  -0.220
  132    H    ARG  18           HN       ARG  18  -2.121  -1.307  -4.907
  133    HA   ARG  18           HA       ARG  18  -3.903  -0.243  -2.907
  134    HB2  ARG  18           HB2      ARG  18  -4.296  -1.971  -5.335
  135    HB3  ARG  18           HB1      ARG  18  -5.596  -1.731  -4.181
  136    HG2  ARG  18           HG2      ARG  18  -5.931  -0.186  -5.930
  137    HG3  ARG  18           HG1      ARG  18  -5.342   0.736  -4.548
  138    HD2  ARG  18           HD2      ARG  18  -4.262   1.495  -6.572
  139    HD3  ARG  18           HD1      ARG  18  -3.085   0.708  -5.526
  140    HE   ARG  18           HE       ARG  18  -3.635  -1.319  -7.059
  141   HH11  ARG  18          HH11      ARG  18  -3.350   2.035  -8.047
  142   HH12  ARG  18          HH12      ARG  18  -2.832   1.641  -9.656
  143   HH21  ARG  18          HH21      ARG  18  -2.933  -1.828  -9.159
  144   HH22  ARG  18          HH22      ARG  18  -2.574  -0.557 -10.283
  145    H    ARG  19           HN       ARG  19  -4.206  -1.146  -1.000
  146    HA   ARG  19           HA       ARG  19  -3.381  -3.783  -0.342
  147    HB2  ARG  19           HB2      ARG  19  -3.778  -1.752   1.216
  148    HB3  ARG  19           HB1      ARG  19  -5.468  -2.226   1.178
  149    HG2  ARG  19           HG2      ARG  19  -3.302  -4.140   1.988
  150    HG3  ARG  19           HG1      ARG  19  -4.049  -3.034   3.132
  151    HD2  ARG  19           HD2      ARG  19  -6.244  -4.007   2.624
  152    HD3  ARG  19           HD1      ARG  19  -5.477  -5.126   1.496
  153    HE   ARG  19           HE       ARG  19  -4.227  -5.392   3.985
  154   HH11  ARG  19          HH11      ARG  19  -7.341  -6.034   2.505
  155   HH12  ARG  19          HH12      ARG  19  -7.718  -7.344   3.583
  156   HH21  ARG  19          HH21      ARG  19  -4.734  -7.127   5.390
  157   HH22  ARG  19          HH22      ARG  19  -6.237  -7.971   5.199
  158    H    ALA  20           HN       ALA  20  -4.436  -5.679  -0.523
  159    HA   ALA  20           HA       ALA  20  -6.919  -5.590  -2.036
  160    HB1  ALA  20           HB1      ALA  20  -6.399  -7.840  -2.712
  161    HB2  ALA  20           HB2      ALA  20  -5.088  -7.930  -1.535
  162    HB3  ALA  20           HB3      ALA  20  -4.964  -6.839  -2.911
  163    H    ASN  21           HN       ASN  21  -7.015  -8.554  -0.977
  164    HA   ASN  21           HA       ASN  21  -8.238  -8.108   1.600
  165    HB2  ASN  21           HB2      ASN  21 -10.428  -9.091   0.854
  166    HB3  ASN  21           HB1      ASN  21 -10.098  -7.487   0.214
  167   HD21  ASN  21          HD21      ASN  21 -10.400 -10.858  -0.524
  168   HD22  ASN  21          HD22      ASN  21 -10.450 -10.691  -2.243
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1 -15.965  -1.738  -0.532
    2    H2   GLY   1           HT2      GLY   1 -16.406  -1.592  -2.159
    3    H3   GLY   1           HT3      GLY   1 -16.219  -0.210  -1.209
    4    HA2  GLY   1           HA1      GLY   1 -14.057  -2.094  -1.953
    5    HA3  GLY   1           HA2      GLY   1 -14.326  -0.515  -2.677
    6    H    PHE   2           HN       PHE   2 -11.922  -1.237  -1.474
    7    HA   PHE   2           HA       PHE   2 -11.846   0.699   0.728
    8    HB2  PHE   2           HB2      PHE   2 -10.430  -1.980   0.766
    9    HB3  PHE   2           HB1      PHE   2 -10.296  -0.727   1.993
   10    HD1  PHE   2           HD1      PHE   2 -12.476  -0.045   3.185
   11    HD2  PHE   2           HD2      PHE   2 -12.001  -3.655   0.985
   12    HE1  PHE   2           HE1      PHE   2 -14.372  -1.032   4.402
   13    HE2  PHE   2           HE2      PHE   2 -13.900  -4.647   2.193
   14    HZ   PHE   2           HZ       PHE   2 -15.094  -3.329   3.892
   15    H    ALA   3           HN       ALA   3 -11.222   1.496  -1.715
   16    HA   ALA   3           HA       ALA   3  -8.559   0.817  -2.519
   17    HB1  ALA   3           HB1      ALA   3 -10.375   3.003  -3.504
   18    HB2  ALA   3           HB2      ALA   3 -10.210   1.387  -4.193
   19    HB3  ALA   3           HB3      ALA   3  -8.853   2.517  -4.250
   20    H    TRP   4           HN       TRP   4  -7.370   1.381  -0.607
   21    HA   TRP   4           HA       TRP   4  -6.549   4.174  -0.873
   22    HB2  TRP   4           HB2      TRP   4  -5.495   3.662   1.488
   23    HB3  TRP   4           HB1      TRP   4  -7.135   4.259   1.329
   24    HD1  TRP   4           HD1      TRP   4  -5.291   0.877   1.850
   25    HE1  TRP   4           HE1      TRP   4  -6.816  -0.617   3.294
   26    HE3  TRP   4           HE3      TRP   4  -9.361   3.936   2.144
   27    HZ2  TRP   4           HZ2      TRP   4  -9.408  -0.501   4.414
   28    HZ3  TRP   4           HZ3      TRP   4 -11.325   3.181   3.425
   29    HH2  TRP   4           HH2      TRP   4 -11.345   1.006   4.537
   30    H    ASN   5           HN       ASN   5  -4.487   4.523  -1.375
   31    HA   ASN   5           HA       ASN   5  -2.864   2.292  -2.152
   32    HB2  ASN   5           HB2      ASN   5  -2.411   5.272  -2.185
   33    HB3  ASN   5           HB1      ASN   5  -1.146   4.135  -2.632
   34   HD21  ASN   5          HD21      ASN   5  -4.148   5.585  -3.537
   35   HD22  ASN   5          HD22      ASN   5  -4.193   4.976  -5.157
   36    H    VAL   6           HN       VAL   6  -1.932   1.127  -0.663
   37    HA   VAL   6           HA       VAL   6  -0.773   2.394   1.687
   38    HB   VAL   6           HB       VAL   6  -2.099   0.596   2.392
   39   HG11  VAL   6          HG11      VAL   6  -2.524  -0.425   0.240
   40   HG12  VAL   6          HG12      VAL   6  -2.042  -1.648   1.416
   41   HG13  VAL   6          HG13      VAL   6  -0.889  -1.084   0.206
   42   HG21  VAL   6          HG21      VAL   6  -0.547  -1.075   3.279
   43   HG22  VAL   6          HG22      VAL   6   0.099   0.555   3.438
   44   HG23  VAL   6          HG23      VAL   6   0.698  -0.509   2.167
   45    H    CYS   7           HN       CYS   7   1.221   2.962   1.542
   46    HA   CYS   7           HA       CYS   7   3.009   1.635  -0.352
   47    HB2  CYS   7           HB2      CYS   7   3.358   4.248   1.123
   48    HB3  CYS   7           HB1      CYS   7   4.425   3.612  -0.124
   49    H    VAL   8           HN       VAL   8   4.785   0.574   0.248
   50    HA   VAL   8           HA       VAL   8   5.606   0.681   3.067
   51    HB   VAL   8           HB       VAL   8   6.157  -1.767   2.922
   52   HG11  VAL   8          HG11      VAL   8   4.216  -0.984   4.145
   53   HG12  VAL   8          HG12      VAL   8   3.866  -2.519   3.353
   54   HG13  VAL   8          HG13      VAL   8   3.248  -1.013   2.672
   55   HG21  VAL   8          HG21      VAL   8   4.414  -1.637   0.461
   56   HG22  VAL   8          HG22      VAL   8   4.973  -3.113   1.245
   57   HG23  VAL   8          HG23      VAL   8   6.136  -2.015   0.505
   58    H    TYR   9           HN       TYR   9   7.826   0.166   3.424
   59    HA   TYR   9           HA       TYR   9   9.473   0.777   1.092
   60    HB2  TYR   9           HB2      TYR   9  10.011   0.921   4.059
   61    HB3  TYR   9           HB1      TYR   9  11.262   1.146   2.845
   62    HD1  TYR   9           HD1      TYR   9  11.464   3.196   1.647
   63    HD2  TYR   9           HD2      TYR   9   8.114   2.530   4.182
   64    HE1  TYR   9           HE1      TYR   9  10.840   5.565   1.435
   65    HE2  TYR   9           HE2      TYR   9   7.481   4.893   3.975
   66    HH   TYR   9           HH       TYR   9   8.579   7.056   3.454
   67    H    ARG  10           HN       ARG  10  10.642  -0.699   0.142
   68    HA   ARG  10           HA       ARG  10  11.376  -3.155   1.575
   69    HB2  ARG  10           HB2      ARG  10   9.252  -3.469   0.254
   70    HB3  ARG  10           HB1      ARG  10  10.188  -3.135  -1.196
   71    HG2  ARG  10           HG2      ARG  10  11.649  -5.056  -0.628
   72    HG3  ARG  10           HG1      ARG  10  10.563  -5.423   0.717
   73    HD2  ARG  10           HD2      ARG  10   9.847  -5.341  -2.202
   74    HD3  ARG  10           HD1      ARG  10  10.011  -6.783  -1.205
   75    HE   ARG  10           HE       ARG  10   8.114  -5.620   0.139
   76   HH11  ARG  10          HH11      ARG  10   8.481  -5.703  -3.339
   77   HH12  ARG  10          HH12      ARG  10   6.785  -5.527  -3.652
   78   HH21  ARG  10          HH21      ARG  10   5.869  -5.395  -0.270
   79   HH22  ARG  10          HH22      ARG  10   5.301  -5.346  -1.908
   80    H    ASN  11           HN       ASN  11  13.504  -3.360   1.398
   81    HA   ASN  11           HA       ASN  11  15.643  -3.210   0.654
   82    HB2  ASN  11           HB2      ASN  11  14.330  -3.299  -2.074
   83    HB3  ASN  11           HB1      ASN  11  16.057  -3.477  -1.783
   84   HD21  ASN  11          HD21      ASN  11  16.806  -5.346  -0.719
   85   HD22  ASN  11          HD22      ASN  11  15.855  -6.791  -0.677
   86    H    GLY  12           HN       GLY  12  14.205  -0.798   1.255
   87    HA2  GLY  12           HA2      GLY  12  15.118   1.357   1.405
   88    HA3  GLY  12           HA1      GLY  12  16.087   1.025  -0.019
   89    H    VAL  13           HN       VAL  13  13.448   0.027  -1.314
   90    HA   VAL  13           HA       VAL  13  12.782   2.711  -2.278
   91    HB   VAL  13           HB       VAL  13  13.561   0.989  -3.918
   92   HG11  VAL  13          HG11      VAL  13  10.893  -0.281  -3.354
   93   HG12  VAL  13          HG12      VAL  13  12.479  -0.976  -3.021
   94   HG13  VAL  13          HG13      VAL  13  11.967  -0.705  -4.686
   95   HG21  VAL  13          HG21      VAL  13  11.873   1.527  -5.624
   96   HG22  VAL  13          HG22      VAL  13  12.350   2.935  -4.675
   97   HG23  VAL  13          HG23      VAL  13  10.811   2.136  -4.354
   98    H    ARG  14           HN       ARG  14  10.674   3.397  -2.543
   99    HA   ARG  14           HA       ARG  14   8.800   2.203  -0.642
  100    HB2  ARG  14           HB2      ARG  14   9.278   4.548  -0.318
  101    HB3  ARG  14           HB1      ARG  14   8.898   4.902  -1.996
  102    HG2  ARG  14           HG2      ARG  14   6.566   4.406  -1.618
  103    HG3  ARG  14           HG1      ARG  14   6.912   3.915   0.043
  104    HD2  ARG  14           HD2      ARG  14   7.582   6.136   0.629
  105    HD3  ARG  14           HD1      ARG  14   7.491   6.659  -1.050
  106    HE   ARG  14           HE       ARG  14   5.044   6.266  -0.872
  107   HH11  ARG  14          HH11      ARG  14   6.932   6.835   2.029
  108   HH12  ARG  14          HH12      ARG  14   5.601   7.515   2.912
  109   HH21  ARG  14          HH21      ARG  14   3.308   7.178   0.274
  110   HH22  ARG  14          HH22      ARG  14   3.542   7.734   1.901
  111    H    VAL  15           HN       VAL  15   7.623   0.645  -1.604
  112    HA   VAL  15           HA       VAL  15   6.508   1.153  -4.253
  113    HB   VAL  15           HB       VAL  15   5.876  -1.287  -4.110
  114   HG11  VAL  15          HG11      VAL  15   7.753  -0.541  -5.443
  115   HG12  VAL  15          HG12      VAL  15   8.151  -2.066  -4.651
  116   HG13  VAL  15          HG13      VAL  15   8.791  -0.550  -4.018
  117   HG21  VAL  15          HG21      VAL  15   7.097  -2.687  -2.528
  118   HG22  VAL  15          HG22      VAL  15   6.029  -1.559  -1.693
  119   HG23  VAL  15          HG23      VAL  15   7.763  -1.242  -1.767
  120    H    CYS  16           HN       CYS  16   4.330   1.204  -4.607
  121    HA   CYS  16           HA       CYS  16   2.636   1.158  -2.197
  122    HB2  CYS  16           HB2      CYS  16   2.321   2.941  -4.618
  123    HB3  CYS  16           HB1      CYS  16   1.291   2.939  -3.190
  124    H    HIS  17           HN       HIS  17   0.715   0.107  -2.300
  125    HA   HIS  17           HA       HIS  17  -0.142  -0.897  -4.910
  126    HB2  HIS  17           HB2      HIS  17  -0.838  -3.056  -3.709
  127    HB3  HIS  17           HB1      HIS  17   0.854  -2.849  -4.119
  128    HD1  HIS  17           HD1      HIS  17  -1.410  -3.454  -1.300
  129    HD2  HIS  17           HD2      HIS  17   2.536  -2.272  -1.828
  130    HE1  HIS  17           HE1      HIS  17  -0.315  -3.749   0.936
  131    HE2  HIS  17           HE2      HIS  17   2.124  -3.295   0.512
  132    H    ARG  18           HN       ARG  18  -2.347  -1.461  -5.043
  133    HA   ARG  18           HA       ARG  18  -3.944   0.360  -3.403
  134    HB2  ARG  18           HB2      ARG  18  -5.680  -0.024  -5.194
  135    HB3  ARG  18           HB1      ARG  18  -4.199   0.751  -5.737
  136    HG2  ARG  18           HG2      ARG  18  -3.402  -1.368  -6.630
  137    HG3  ARG  18           HG1      ARG  18  -4.868  -2.166  -6.066
  138    HD2  ARG  18           HD2      ARG  18  -4.992  -1.654  -8.447
  139    HD3  ARG  18           HD1      ARG  18  -6.207  -0.761  -7.537
  140    HE   ARG  18           HE       ARG  18  -4.034   0.921  -7.735
  141   HH11  ARG  18          HH11      ARG  18  -6.133  -0.761  -9.965
  142   HH12  ARG  18          HH12      ARG  18  -6.049   0.471 -11.180
  143   HH21  ARG  18          HH21      ARG  18  -3.902   2.547  -9.326
  144   HH22  ARG  18          HH22      ARG  18  -4.775   2.369 -10.814
  145    H    ARG  19           HN       ARG  19  -5.316  -0.326  -1.915
  146    HA   ARG  19           HA       ARG  19  -5.535  -3.150  -1.402
  147    HB2  ARG  19           HB2      ARG  19  -5.234  -1.561   0.438
  148    HB3  ARG  19           HB1      ARG  19  -6.749  -0.774   0.020
  149    HG2  ARG  19           HG2      ARG  19  -7.086  -2.195   1.923
  150    HG3  ARG  19           HG1      ARG  19  -7.944  -2.870   0.538
  151    HD2  ARG  19           HD2      ARG  19  -6.840  -4.655   1.707
  152    HD3  ARG  19           HD1      ARG  19  -6.037  -4.400   0.162
  153    HE   ARG  19           HE       ARG  19  -4.892  -3.075   2.493
  154   HH11  ARG  19          HH11      ARG  19  -4.758  -5.718   0.200
  155   HH12  ARG  19          HH12      ARG  19  -3.107  -6.109   0.554
  156   HH21  ARG  19          HH21      ARG  19  -2.711  -3.594   2.967
  157   HH22  ARG  19          HH22      ARG  19  -1.951  -4.918   2.142
  158    H    ALA  20           HN       ALA  20  -7.208  -4.462  -1.789
  159    HA   ALA  20           HA       ALA  20  -9.202  -5.264  -2.497
  160    HB1  ALA  20           HB1      ALA  20 -11.195  -4.164  -1.679
  161    HB2  ALA  20           HB2      ALA  20 -10.287  -2.682  -1.383
  162    HB3  ALA  20           HB3      ALA  20  -9.939  -4.131  -0.441
  163    H    ASN  21           HN       ASN  21  -7.887  -4.381  -4.608
  164    HA   ASN  21           HA       ASN  21 -10.000  -3.132  -6.227
  165    HB2  ASN  21           HB2      ASN  21  -7.202  -2.272  -5.897
  166    HB3  ASN  21           HB1      ASN  21  -7.735  -2.400  -7.568
  167   HD21  ASN  21          HD21      ASN  21  -9.932  -1.609  -4.981
  168   HD22  ASN  21          HD22      ASN  21 -10.174   0.043  -5.438
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1 -16.409  -2.793  -2.386
    2    H2   GLY   1           HT2      GLY   1 -15.996  -1.195  -2.755
    3    H3   GLY   1           HT3      GLY   1 -16.437  -1.610  -1.176
    4    HA2  GLY   1           HA1      GLY   1 -14.484  -3.021  -0.975
    5    HA3  GLY   1           HA2      GLY   1 -14.021  -2.563  -2.607
    6    H    PHE   2           HN       PHE   2 -12.459  -2.189  -0.253
    7    HA   PHE   2           HA       PHE   2 -12.366   0.754  -0.149
    8    HB2  PHE   2           HB2      PHE   2 -11.595  -1.249   1.983
    9    HB3  PHE   2           HB1      PHE   2 -11.265   0.475   2.079
   10    HD1  PHE   2           HD1      PHE   2 -13.005   2.050   2.563
   11    HD2  PHE   2           HD2      PHE   2 -13.871  -2.097   2.189
   12    HE1  PHE   2           HE1      PHE   2 -15.208   2.421   3.590
   13    HE2  PHE   2           HE2      PHE   2 -16.076  -1.735   3.214
   14    HZ   PHE   2           HZ       PHE   2 -16.746   0.528   3.916
   15    H    ALA   3           HN       ALA   3 -10.870   1.145  -1.709
   16    HA   ALA   3           HA       ALA   3  -8.396  -0.404  -1.725
   17    HB1  ALA   3           HB1      ALA   3  -7.938   0.695  -3.859
   18    HB2  ALA   3           HB2      ALA   3  -9.402   1.662  -3.679
   19    HB3  ALA   3           HB3      ALA   3  -9.520  -0.089  -3.870
   20    H    TRP   4           HN       TRP   4  -7.006   0.319  -0.250
   21    HA   TRP   4           HA       TRP   4  -6.677   3.182   0.198
   22    HB2  TRP   4           HB2      TRP   4  -4.842   1.193   1.438
   23    HB3  TRP   4           HB1      TRP   4  -5.514   2.661   2.118
   24    HD1  TRP   4           HD1      TRP   4  -6.004  -1.047   2.027
   25    HE1  TRP   4           HE1      TRP   4  -8.047  -1.677   3.440
   26    HE3  TRP   4           HE3      TRP   4  -7.905   3.600   2.728
   27    HZ2  TRP   4           HZ2      TRP   4 -10.216  -0.352   4.699
   28    HZ3  TRP   4           HZ3      TRP   4  -9.976   3.860   4.048
   29    HH2  TRP   4           HH2      TRP   4 -11.104   1.919   5.012
   30    H    ASN   5           HN       ASN   5  -5.089   4.368  -0.719
   31    HA   ASN   5           HA       ASN   5  -3.091   3.086  -2.349
   32    HB2  ASN   5           HB2      ASN   5  -2.223   5.367  -2.739
   33    HB3  ASN   5           HB1      ASN   5  -3.947   5.261  -3.061
   34   HD21  ASN   5          HD21      ASN   5  -5.394   6.299  -1.659
   35   HD22  ASN   5          HD22      ASN   5  -4.867   7.530  -0.563
   36    H    VAL   6           HN       VAL   6  -1.669   1.909  -1.251
   37    HA   VAL   6           HA       VAL   6  -0.433   3.131   1.112
   38    HB   VAL   6           HB       VAL   6  -1.809   1.489   2.061
   39   HG11  VAL   6          HG11      VAL   6  -0.916  -0.450  -0.059
   40   HG12  VAL   6          HG12      VAL   6  -2.485   0.355   0.019
   41   HG13  VAL   6          HG13      VAL   6  -2.023  -0.800   1.269
   42   HG21  VAL   6          HG21      VAL   6   0.889   0.205   1.663
   43   HG22  VAL   6          HG22      VAL   6  -0.281  -0.240   2.905
   44   HG23  VAL   6          HG23      VAL   6   0.456   1.364   2.921
   45    H    CYS   7           HN       CYS   7   1.581   3.505   0.802
   46    HA   CYS   7           HA       CYS   7   3.136   1.840  -1.037
   47    HB2  CYS   7           HB2      CYS   7   3.974   4.468   0.185
   48    HB3  CYS   7           HB1      CYS   7   4.656   3.665  -1.222
   49    H    VAL   8           HN       VAL   8   4.697   0.517  -0.286
   50    HA   VAL   8           HA       VAL   8   5.386   0.775   2.574
   51    HB   VAL   8           HB       VAL   8   5.731  -1.704   2.586
   52   HG11  VAL   8          HG11      VAL   8   3.737  -0.725   3.555
   53   HG12  VAL   8          HG12      VAL   8   3.342  -2.253   2.767
   54   HG13  VAL   8          HG13      VAL   8   2.945  -0.727   1.978
   55   HG21  VAL   8          HG21      VAL   8   4.645  -3.038   0.845
   56   HG22  VAL   8          HG22      VAL   8   5.954  -2.060   0.188
   57   HG23  VAL   8          HG23      VAL   8   4.278  -1.567  -0.052
   58    H    TYR   9           HN       TYR   9   7.502  -0.223   3.123
   59    HA   TYR   9           HA       TYR   9   9.406   0.600   1.069
   60    HB2  TYR   9           HB2      TYR   9   9.778   0.229   4.047
   61    HB3  TYR   9           HB1      TYR   9  10.978   0.861   2.927
   62    HD1  TYR   9           HD1      TYR   9  10.342   2.996   1.612
   63    HD2  TYR   9           HD2      TYR   9   8.298   1.679   5.104
   64    HE1  TYR   9           HE1      TYR   9   9.486   5.275   1.965
   65    HE2  TYR   9           HE2      TYR   9   7.430   3.951   5.458
   66    HH   TYR   9           HH       TYR   9   7.514   6.346   3.126
   67    H    ARG  10           HN       ARG  10   9.979  -1.043  -0.155
   68    HA   ARG  10           HA       ARG  10  10.512  -3.645   1.114
   69    HB2  ARG  10           HB2      ARG  10   8.792  -3.535  -0.720
   70    HB3  ARG  10           HB1      ARG  10  10.072  -3.048  -1.820
   71    HG2  ARG  10           HG2      ARG  10   9.778  -5.342  -2.178
   72    HG3  ARG  10           HG1      ARG  10  11.238  -5.212  -1.196
   73    HD2  ARG  10           HD2      ARG  10   8.486  -5.793  -0.110
   74    HD3  ARG  10           HD1      ARG  10   9.687  -7.025  -0.482
   75    HE   ARG  10           HE       ARG  10  11.105  -5.730   1.218
   76   HH11  ARG  10          HH11      ARG  10   7.627  -6.118   1.388
   77   HH12  ARG  10          HH12      ARG  10   7.568  -5.963   3.114
   78   HH21  ARG  10          HH21      ARG  10  11.032  -5.529   3.492
   79   HH22  ARG  10          HH22      ARG  10   9.504  -5.638   4.310
   80    H    ASN  11           HN       ASN  11  12.609  -3.594   1.703
   81    HA   ASN  11           HA       ASN  11  14.877  -3.569   1.552
   82    HB2  ASN  11           HB2      ASN  11  14.344  -3.713  -1.426
   83    HB3  ASN  11           HB1      ASN  11  15.927  -3.905  -0.685
   84   HD21  ASN  11          HD21      ASN  11  16.410  -5.794   0.398
   85   HD22  ASN  11          HD22      ASN  11  15.420  -7.207   0.290
   86    H    GLY  12           HN       GLY  12  13.300  -1.084   1.538
   87    HA2  GLY  12           HA2      GLY  12  14.371   1.013   1.978
   88    HA3  GLY  12           HA1      GLY  12  15.516   0.652   0.700
   89    H    VAL  13           HN       VAL  13  13.066  -0.240  -0.980
   90    HA   VAL  13           HA       VAL  13  12.629   2.476  -1.982
   91    HB   VAL  13           HB       VAL  13  13.524   0.858  -3.583
   92   HG11  VAL  13          HG11      VAL  13  12.528  -1.181  -2.739
   93   HG12  VAL  13          HG12      VAL  13  12.143  -0.963  -4.447
   94   HG13  VAL  13          HG13      VAL  13  10.928  -0.615  -3.218
   95   HG21  VAL  13          HG21      VAL  13  12.198   2.699  -4.436
   96   HG22  VAL  13          HG22      VAL  13  10.723   1.752  -4.239
   97   HG23  VAL  13          HG23      VAL  13  11.941   1.256  -5.414
   98    H    ARG  14           HN       ARG  14  10.702   3.394  -2.213
   99    HA   ARG  14           HA       ARG  14   8.535   2.320  -0.637
  100    HB2  ARG  14           HB2      ARG  14   9.256   4.717  -0.575
  101    HB3  ARG  14           HB1      ARG  14   8.680   4.886  -2.226
  102    HG2  ARG  14           HG2      ARG  14   6.424   4.207  -1.424
  103    HG3  ARG  14           HG1      ARG  14   7.050   4.292   0.224
  104    HD2  ARG  14           HD2      ARG  14   6.041   6.376  -0.142
  105    HD3  ARG  14           HD1      ARG  14   7.768   6.660  -0.356
  106    HE   ARG  14           HE       ARG  14   7.123   6.265  -2.854
  107   HH11  ARG  14          HH11      ARG  14   5.311   8.023  -0.434
  108   HH12  ARG  14          HH12      ARG  14   4.555   9.079  -1.583
  109   HH21  ARG  14          HH21      ARG  14   6.142   7.664  -4.370
  110   HH22  ARG  14          HH22      ARG  14   5.036   8.887  -3.820
  111    H    VAL  15           HN       VAL  15   7.444   0.716  -1.670
  112    HA   VAL  15           HA       VAL  15   6.667   1.148  -4.459
  113    HB   VAL  15           HB       VAL  15   7.661  -1.005  -4.037
  114   HG11  VAL  15          HG11      VAL  15   5.470  -1.471  -2.034
  115   HG12  VAL  15          HG12      VAL  15   7.184  -1.260  -1.680
  116   HG13  VAL  15          HG13      VAL  15   6.639  -2.674  -2.579
  117   HG21  VAL  15          HG21      VAL  15   4.696  -1.231  -4.512
  118   HG22  VAL  15          HG22      VAL  15   5.884  -2.479  -4.886
  119   HG23  VAL  15          HG23      VAL  15   5.934  -0.932  -5.729
  120    H    CYS  16           HN       CYS  16   4.765   1.960  -4.903
  121    HA   CYS  16           HA       CYS  16   2.723   2.050  -2.830
  122    HB2  CYS  16           HB2      CYS  16   2.945   3.466  -5.485
  123    HB3  CYS  16           HB1      CYS  16   1.601   3.661  -4.366
  124    H    HIS  17           HN       HIS  17   0.774   1.090  -2.967
  125    HA   HIS  17           HA       HIS  17  -0.107  -0.106  -5.444
  126    HB2  HIS  17           HB2      HIS  17  -0.491  -2.332  -4.342
  127    HB3  HIS  17           HB1      HIS  17   1.183  -1.952  -4.673
  128    HD1  HIS  17           HD1      HIS  17  -1.223  -2.547  -1.900
  129    HD2  HIS  17           HD2      HIS  17   2.799  -1.633  -2.381
  130    HE1  HIS  17           HE1      HIS  17  -0.187  -2.852   0.368
  131    HE2  HIS  17           HE2      HIS  17   2.285  -2.606  -0.038
  132    H    ARG  18           HN       ARG  18  -2.285  -0.974  -5.268
  133    HA   ARG  18           HA       ARG  18  -3.805   0.617  -3.327
  134    HB2  ARG  18           HB2      ARG  18  -5.744   0.303  -4.857
  135    HB3  ARG  18           HB1      ARG  18  -4.401   1.163  -5.588
  136    HG2  ARG  18           HG2      ARG  18  -3.740  -0.843  -6.790
  137    HG3  ARG  18           HG1      ARG  18  -5.046  -1.747  -6.018
  138    HD2  ARG  18           HD2      ARG  18  -5.702  -1.079  -8.256
  139    HD3  ARG  18           HD1      ARG  18  -6.682  -0.236  -7.060
  140    HE   ARG  18           HE       ARG  18  -4.439   1.333  -7.771
  141   HH11  ARG  18          HH11      ARG  18  -7.529   0.263  -9.041
  142   HH12  ARG  18          HH12      ARG  18  -7.731   1.655 -10.058
  143   HH21  ARG  18          HH21      ARG  18  -4.712   3.160  -9.103
  144   HH22  ARG  18          HH22      ARG  18  -6.127   3.296 -10.102
  145    H    ARG  19           HN       ARG  19  -4.237  -0.486  -1.572
  146    HA   ARG  19           HA       ARG  19  -4.540  -3.372  -1.649
  147    HB2  ARG  19           HB2      ARG  19  -3.232  -2.260   0.134
  148    HB3  ARG  19           HB1      ARG  19  -4.690  -1.449   0.677
  149    HG2  ARG  19           HG2      ARG  19  -4.281  -3.296   2.117
  150    HG3  ARG  19           HG1      ARG  19  -5.687  -3.683   1.129
  151    HD2  ARG  19           HD2      ARG  19  -4.342  -5.067  -0.312
  152    HD3  ARG  19           HD1      ARG  19  -2.877  -4.596   0.544
  153    HE   ARG  19           HE       ARG  19  -4.481  -5.675   2.471
  154   HH11  ARG  19          HH11      ARG  19  -3.226  -6.799  -0.594
  155   HH12  ARG  19          HH12      ARG  19  -3.150  -8.457  -0.096
  156   HH21  ARG  19          HH21      ARG  19  -4.392  -7.852   3.127
  157   HH22  ARG  19          HH22      ARG  19  -3.826  -9.061   2.018
  158    H    ALA  20           HN       ALA  20  -6.423  -4.401  -1.705
  159    HA   ALA  20           HA       ALA  20  -8.857  -3.129  -0.751
  160    HB1  ALA  20           HB1      ALA  20  -8.692  -2.391  -3.089
  161    HB2  ALA  20           HB2      ALA  20 -10.069  -3.463  -2.833
  162    HB3  ALA  20           HB3      ALA  20  -8.607  -4.074  -3.607
  163    H    ASN  21           HN       ASN  21  -9.261  -4.681   0.713
  164    HA   ASN  21           HA       ASN  21  -8.992  -7.490   0.053
  165    HB2  ASN  21           HB2      ASN  21  -9.832  -6.063   2.584
  166    HB3  ASN  21           HB1      ASN  21  -9.728  -7.814   2.435
  167   HD21  ASN  21          HD21      ASN  21  -8.257  -5.880   4.119
  168   HD22  ASN  21          HD22      ASN  21  -6.585  -6.174   3.794
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1 -16.106   1.979  -2.208
    2    H2   GLY   1           HT2      GLY   1 -16.365   2.499  -3.797
    3    H3   GLY   1           HT3      GLY   1 -15.033   3.067  -2.927
    4    HA2  GLY   1           HA1      GLY   1 -15.475   0.260  -3.765
    5    HA3  GLY   1           HA2      GLY   1 -14.370   1.392  -4.533
    6    H    PHE   2           HN       PHE   2 -12.636  -0.040  -4.086
    7    HA   PHE   2           HA       PHE   2 -11.827  -0.013  -1.260
    8    HB2  PHE   2           HB2      PHE   2 -10.483  -2.068  -1.793
    9    HB3  PHE   2           HB1      PHE   2 -12.224  -2.292  -1.853
   10    HD1  PHE   2           HD1      PHE   2 -13.344  -2.276  -4.143
   11    HD2  PHE   2           HD2      PHE   2  -9.139  -2.639  -3.606
   12    HE1  PHE   2           HE1      PHE   2 -13.140  -3.237  -6.398
   13    HE2  PHE   2           HE2      PHE   2  -8.928  -3.592  -5.863
   14    HZ   PHE   2           HZ       PHE   2 -10.931  -3.892  -7.261
   15    H    ALA   3           HN       ALA   3 -11.286   2.183  -2.612
   16    HA   ALA   3           HA       ALA   3  -8.583   1.955  -3.700
   17    HB1  ALA   3           HB1      ALA   3 -10.215   3.256  -4.984
   18    HB2  ALA   3           HB2      ALA   3  -8.866   4.255  -4.444
   19    HB3  ALA   3           HB3      ALA   3 -10.419   4.346  -3.612
   20    H    TRP   4           HN       TRP   4  -7.514   1.527  -1.736
   21    HA   TRP   4           HA       TRP   4  -6.955   3.990  -0.266
   22    HB2  TRP   4           HB2      TRP   4  -6.409   2.192   1.639
   23    HB3  TRP   4           HB1      TRP   4  -7.978   2.967   1.492
   24    HD1  TRP   4           HD1      TRP   4  -6.244  -0.334   0.415
   25    HE1  TRP   4           HE1      TRP   4  -8.031  -2.188   0.389
   26    HE3  TRP   4           HE3      TRP   4 -10.338   2.501   1.516
   27    HZ2  TRP   4           HZ2      TRP   4 -10.819  -2.407   0.797
   28    HZ3  TRP   4           HZ3      TRP   4 -12.532   1.398   1.682
   29    HH2  TRP   4           HH2      TRP   4 -12.764  -1.005   1.325
   30    H    ASN   5           HN       ASN   5  -4.943   4.542  -0.674
   31    HA   ASN   5           HA       ASN   5  -3.098   2.591  -1.747
   32    HB2  ASN   5           HB2      ASN   5  -2.904   5.579  -1.359
   33    HB3  ASN   5           HB1      ASN   5  -1.580   4.605  -1.981
   34   HD21  ASN   5          HD21      ASN   5  -1.605   5.708  -3.933
   35   HD22  ASN   5          HD22      ASN   5  -2.834   5.441  -5.121
   36    H    VAL   6           HN       VAL   6  -1.391   1.752  -0.784
   37    HA   VAL   6           HA       VAL   6  -0.680   2.669   1.920
   38    HB   VAL   6           HB       VAL   6  -0.931  -0.209   1.006
   39   HG11  VAL   6          HG11      VAL   6   0.967   0.071   2.500
   40   HG12  VAL   6          HG12      VAL   6  -0.336  -0.795   3.314
   41   HG13  VAL   6          HG13      VAL   6  -0.056   0.910   3.669
   42   HG21  VAL   6          HG21      VAL   6  -3.095   0.777   1.474
   43   HG22  VAL   6          HG22      VAL   6  -2.518   1.361   3.035
   44   HG23  VAL   6          HG23      VAL   6  -2.668  -0.373   2.741
   45    H    CYS   7           HN       CYS   7   1.265   3.554   1.610
   46    HA   CYS   7           HA       CYS   7   3.109   2.352  -0.316
   47    HB2  CYS   7           HB2      CYS   7   3.511   4.940   1.175
   48    HB3  CYS   7           HB1      CYS   7   4.293   4.416  -0.307
   49    H    VAL   8           HN       VAL   8   4.898   1.259   0.294
   50    HA   VAL   8           HA       VAL   8   5.804   1.489   3.079
   51    HB   VAL   8           HB       VAL   8   6.058  -1.003   3.184
   52   HG11  VAL   8          HG11      VAL   8   3.240   0.028   2.913
   53   HG12  VAL   8          HG12      VAL   8   4.254   0.130   4.351
   54   HG13  VAL   8          HG13      VAL   8   3.724  -1.443   3.758
   55   HG21  VAL   8          HG21      VAL   8   4.695  -2.384   1.690
   56   HG22  VAL   8          HG22      VAL   8   5.924  -1.485   0.798
   57   HG23  VAL   8          HG23      VAL   8   4.246  -0.944   0.772
   58    H    TYR   9           HN       TYR   9   7.964   0.684   3.411
   59    HA   TYR   9           HA       TYR   9   9.598   0.985   1.030
   60    HB2  TYR   9           HB2      TYR   9  10.286   0.785   3.963
   61    HB3  TYR   9           HB1      TYR   9  11.498   0.852   2.695
   62    HD1  TYR   9           HD1      TYR   9  12.007   2.908   1.567
   63    HD2  TYR   9           HD2      TYR   9   8.837   2.738   4.401
   64    HE1  TYR   9           HE1      TYR   9  11.898   5.364   1.590
   65    HE2  TYR   9           HE2      TYR   9   8.721   5.191   4.427
   66    HH   TYR   9           HH       TYR   9  10.371   7.136   2.134
   67    H    ARG  10           HN       ARG  10   9.789  -0.755  -0.171
   68    HA   ARG  10           HA       ARG  10  10.211  -3.350   1.162
   69    HB2  ARG  10           HB2      ARG  10   8.055  -3.257  -0.015
   70    HB3  ARG  10           HB1      ARG  10   8.878  -2.780  -1.493
   71    HG2  ARG  10           HG2      ARG  10  10.061  -4.939  -1.498
   72    HG3  ARG  10           HG1      ARG  10   9.151  -5.413  -0.061
   73    HD2  ARG  10           HD2      ARG  10   7.062  -5.163  -1.306
   74    HD3  ARG  10           HD1      ARG  10   7.970  -4.688  -2.740
   75    HE   ARG  10           HE       ARG  10   8.942  -7.166  -1.906
   76   HH11  ARG  10          HH11      ARG  10   5.960  -5.803  -3.130
   77   HH12  ARG  10          HH12      ARG  10   5.451  -7.272  -3.898
   78   HH21  ARG  10          HH21      ARG  10   8.282  -9.107  -2.924
   79   HH22  ARG  10          HH22      ARG  10   6.766  -9.158  -3.769
   80    H    ASN  11           HN       ASN  11  12.231  -3.993   0.943
   81    HA   ASN  11           HA       ASN  11  14.312  -4.374   0.129
   82    HB2  ASN  11           HB2      ASN  11  12.898  -4.160  -2.535
   83    HB3  ASN  11           HB1      ASN  11  14.529  -4.779  -2.309
   84   HD21  ASN  11          HD21      ASN  11  14.007  -6.203   0.116
   85   HD22  ASN  11          HD22      ASN  11  13.021  -7.564  -0.293
   86    H    GLY  12           HN       GLY  12  13.404  -1.596   0.592
   87    HA2  GLY  12           HA2      GLY  12  14.933   0.210   0.712
   88    HA3  GLY  12           HA1      GLY  12  15.699  -0.373  -0.752
   89    H    VAL  13           HN       VAL  13  12.534  -0.530  -1.525
   90    HA   VAL  13           HA       VAL  13  12.544   2.264  -2.465
   91    HB   VAL  13           HB       VAL  13  12.796   0.676  -4.309
   92   HG11  VAL  13          HG11      VAL  13  10.956  -0.811  -4.959
   93   HG12  VAL  13          HG12      VAL  13  10.109  -0.390  -3.470
   94   HG13  VAL  13          HG13      VAL  13  11.647  -1.251  -3.396
   95   HG21  VAL  13          HG21      VAL  13  10.985   1.501  -5.734
   96   HG22  VAL  13          HG22      VAL  13  11.669   2.783  -4.733
   97   HG23  VAL  13          HG23      VAL  13  10.123   2.058  -4.300
   98    H    ARG  14           HN       ARG  14  10.766   3.489  -2.230
   99    HA   ARG  14           HA       ARG  14   8.737   2.580  -0.387
  100    HB2  ARG  14           HB2      ARG  14   9.690   4.889  -0.315
  101    HB3  ARG  14           HB1      ARG  14   8.941   5.211  -1.870
  102    HG2  ARG  14           HG2      ARG  14   6.729   4.759  -0.835
  103    HG3  ARG  14           HG1      ARG  14   7.544   4.618   0.725
  104    HD2  ARG  14           HD2      ARG  14   8.388   6.914   0.470
  105    HD3  ARG  14           HD1      ARG  14   7.532   7.047  -1.064
  106    HE   ARG  14           HE       ARG  14   6.121   6.568   1.478
  107   HH11  ARG  14          HH11      ARG  14   6.519   8.342  -1.515
  108   HH12  ARG  14          HH12      ARG  14   5.107   9.319  -1.274
  109   HH21  ARG  14          HH21      ARG  14   4.255   7.861   1.798
  110   HH22  ARG  14          HH22      ARG  14   3.813   9.040   0.604
  111    H    VAL  15           HN       VAL  15   7.630   0.997  -1.491
  112    HA   VAL  15           HA       VAL  15   6.434   1.621  -4.080
  113    HB   VAL  15           HB       VAL  15   7.544  -0.581  -3.643
  114   HG11  VAL  15          HG11      VAL  15   6.348  -2.298  -2.391
  115   HG12  VAL  15          HG12      VAL  15   5.164  -1.093  -1.886
  116   HG13  VAL  15          HG13      VAL  15   6.842  -0.953  -1.362
  117   HG21  VAL  15          HG21      VAL  15   5.979  -0.335  -5.479
  118   HG22  VAL  15          HG22      VAL  15   4.633  -0.690  -4.398
  119   HG23  VAL  15          HG23      VAL  15   5.828  -1.936  -4.757
  120    H    CYS  16           HN       CYS  16   4.204   1.764  -4.400
  121    HA   CYS  16           HA       CYS  16   2.591   1.600  -1.953
  122    HB2  CYS  16           HB2      CYS  16   3.169   3.979  -2.972
  123    HB3  CYS  16           HB1      CYS  16   1.826   3.576  -4.033
  124    H    HIS  17           HN       HIS  17   0.554   0.869  -2.156
  125    HA   HIS  17           HA       HIS  17  -0.554   0.181  -4.724
  126    HB2  HIS  17           HB2      HIS  17  -0.832  -2.215  -4.165
  127    HB3  HIS  17           HB1      HIS  17   0.843  -1.769  -4.400
  128    HD1  HIS  17           HD1      HIS  17  -1.482  -3.246  -1.960
  129    HD2  HIS  17           HD2      HIS  17   2.371  -1.673  -1.939
  130    HE1  HIS  17           HE1      HIS  17  -0.470  -3.955   0.230
  131    HE2  HIS  17           HE2      HIS  17   1.908  -3.134   0.145
  132    H    ARG  18           HN       ARG  18  -2.694  -0.655  -4.530
  133    HA   ARG  18           HA       ARG  18  -4.076   0.436  -2.223
  134    HB2  ARG  18           HB2      ARG  18  -5.128  -0.961  -4.693
  135    HB3  ARG  18           HB1      ARG  18  -6.133  -0.238  -3.445
  136    HG2  ARG  18           HG2      ARG  18  -5.208   1.955  -3.966
  137    HG3  ARG  18           HG1      ARG  18  -4.174   1.230  -5.199
  138    HD2  ARG  18           HD2      ARG  18  -6.178   0.457  -6.395
  139    HD3  ARG  18           HD1      ARG  18  -7.187   1.235  -5.178
  140    HE   ARG  18           HE       ARG  18  -5.329   3.034  -6.418
  141   HH11  ARG  18          HH11      ARG  18  -8.456   1.508  -6.732
  142   HH12  ARG  18          HH12      ARG  18  -9.104   2.733  -7.773
  143   HH21  ARG  18          HH21      ARG  18  -6.166   4.655  -7.806
  144   HH22  ARG  18          HH22      ARG  18  -7.802   4.540  -8.370
  145    H    ARG  19           HN       ARG  19  -4.703  -0.726  -0.518
  146    HA   ARG  19           HA       ARG  19  -3.693  -3.336  -0.166
  147    HB2  ARG  19           HB2      ARG  19  -4.189  -1.572   1.621
  148    HB3  ARG  19           HB1      ARG  19  -5.863  -2.088   1.519
  149    HG2  ARG  19           HG2      ARG  19  -3.704  -4.083   2.044
  150    HG3  ARG  19           HG1      ARG  19  -4.331  -3.079   3.347
  151    HD2  ARG  19           HD2      ARG  19  -6.564  -3.915   2.961
  152    HD3  ARG  19           HD1      ARG  19  -6.006  -4.837   1.567
  153    HE   ARG  19           HE       ARG  19  -4.506  -5.655   3.768
  154   HH11  ARG  19          HH11      ARG  19  -7.840  -5.698   2.719
  155   HH12  ARG  19          HH12      ARG  19  -8.218  -7.179   3.536
  156   HH21  ARG  19          HH21      ARG  19  -4.998  -7.616   4.863
  157   HH22  ARG  19          HH22      ARG  19  -6.602  -8.272   4.762
  158    H    ALA  20           HN       ALA  20  -4.506  -5.269  -0.546
  159    HA   ALA  20           HA       ALA  20  -5.869  -6.947  -1.215
  160    HB1  ALA  20           HB1      ALA  20  -7.382  -6.284   0.568
  161    HB2  ALA  20           HB2      ALA  20  -8.286  -6.803  -0.855
  162    HB3  ALA  20           HB3      ALA  20  -8.127  -5.085  -0.489
  163    H    ASN  21           HN       ASN  21  -4.923  -4.792  -2.995
  164    HA   ASN  21           HA       ASN  21  -6.684  -5.441  -5.247
  165    HB2  ASN  21           HB2      ASN  21  -7.102  -3.103  -4.506
  166    HB3  ASN  21           HB1      ASN  21  -5.404  -2.748  -4.789
  167   HD21  ASN  21          HD21      ASN  21  -7.395  -4.817  -6.795
  168   HD22  ASN  21          HD22      ASN  21  -7.381  -3.793  -8.187
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1 -13.431  -1.133  -4.267
    2    H2   GLY   1           HT2      GLY   1 -15.083  -1.494  -4.273
    3    H3   GLY   1           HT3      GLY   1 -14.129  -1.935  -2.952
    4    HA2  GLY   1           HA1      GLY   1 -14.736   0.838  -3.802
    5    HA3  GLY   1           HA2      GLY   1 -15.470   0.005  -2.441
    6    H    PHE   2           HN       PHE   2 -13.488  -1.144  -1.100
    7    HA   PHE   2           HA       PHE   2 -12.146   1.169   0.001
    8    HB2  PHE   2           HB2      PHE   2 -12.086  -1.710   0.911
    9    HB3  PHE   2           HB1      PHE   2 -11.479  -0.331   1.817
   10    HD1  PHE   2           HD1      PHE   2 -13.263   1.562   2.238
   11    HD2  PHE   2           HD2      PHE   2 -14.194  -2.500   1.390
   12    HE1  PHE   2           HE1      PHE   2 -15.470   1.857   3.277
   13    HE2  PHE   2           HE2      PHE   2 -16.407  -2.211   2.427
   14    HZ   PHE   2           HZ       PHE   2 -17.045  -0.068   3.384
   15    H    ALA   3           HN       ALA   3 -10.880   1.270  -2.131
   16    HA   ALA   3           HA       ALA   3  -8.486  -0.427  -1.983
   17    HB1  ALA   3           HB1      ALA   3  -9.407   1.402  -4.199
   18    HB2  ALA   3           HB2      ALA   3  -9.572  -0.354  -4.170
   19    HB3  ALA   3           HB3      ALA   3  -7.970   0.383  -4.232
   20    H    TRP   4           HN       TRP   4  -7.245   0.510  -0.427
   21    HA   TRP   4           HA       TRP   4  -6.752   3.390  -0.611
   22    HB2  TRP   4           HB2      TRP   4  -5.263   2.098   1.494
   23    HB3  TRP   4           HB1      TRP   4  -6.467   3.367   1.607
   24    HD1  TRP   4           HD1      TRP   4  -6.154  -0.461   1.743
   25    HE1  TRP   4           HE1      TRP   4  -8.189  -1.385   2.996
   26    HE3  TRP   4           HE3      TRP   4  -8.815   3.853   2.191
   27    HZ2  TRP   4           HZ2      TRP   4 -10.630  -0.402   4.034
   28    HZ3  TRP   4           HZ3      TRP   4 -11.001   3.787   3.327
   29    HH2  TRP   4           HH2      TRP   4 -11.888   1.699   4.230
   30    H    ASN   5           HN       ASN   5  -4.912   4.202  -1.377
   31    HA   ASN   5           HA       ASN   5  -2.859   2.457  -2.354
   32    HB2  ASN   5           HB2      ASN   5  -1.682   4.570  -2.986
   33    HB3  ASN   5           HB1      ASN   5  -3.307   4.441  -3.641
   34   HD21  ASN   5          HD21      ASN   5  -1.203   6.183  -1.534
   35   HD22  ASN   5          HD22      ASN   5  -2.303   7.455  -1.140
   36    H    VAL   6           HN       VAL   6  -1.610   1.474  -0.967
   37    HA   VAL   6           HA       VAL   6  -0.598   2.952   1.349
   38    HB   VAL   6           HB       VAL   6  -1.769   1.191   2.296
   39   HG11  VAL   6          HG11      VAL   6  -1.834  -1.100   1.472
   40   HG12  VAL   6          HG12      VAL   6  -0.755  -0.653   0.149
   41   HG13  VAL   6          HG13      VAL   6  -2.374   0.044   0.243
   42   HG21  VAL   6          HG21      VAL   6   0.485   1.194   3.175
   43   HG22  VAL   6          HG22      VAL   6   1.003   0.086   1.904
   44   HG23  VAL   6          HG23      VAL   6  -0.148  -0.451   3.129
   45    H    CYS   7           HN       CYS   7   1.415   3.459   1.296
   46    HA   CYS   7           HA       CYS   7   3.230   2.114  -0.563
   47    HB2  CYS   7           HB2      CYS   7   3.696   4.700   0.921
   48    HB3  CYS   7           HB1      CYS   7   4.600   4.081  -0.457
   49    H    VAL   8           HN       VAL   8   4.849   0.884   0.145
   50    HA   VAL   8           HA       VAL   8   5.663   1.119   2.962
   51    HB   VAL   8           HB       VAL   8   5.930  -1.380   3.032
   52   HG11  VAL   8          HG11      VAL   8   4.082  -0.286   4.163
   53   HG12  VAL   8          HG12      VAL   8   3.563  -1.831   3.489
   54   HG13  VAL   8          HG13      VAL   8   3.128  -0.325   2.680
   55   HG21  VAL   8          HG21      VAL   8   4.607  -2.724   1.461
   56   HG22  VAL   8          HG22      VAL   8   5.890  -1.833   0.643
   57   HG23  VAL   8          HG23      VAL   8   4.223  -1.267   0.546
   58    H    TYR   9           HN       TYR   9   7.797   0.126   3.366
   59    HA   TYR   9           HA       TYR   9   9.534   0.677   1.092
   60    HB2  TYR   9           HB2      TYR   9  10.111   0.399   4.044
   61    HB3  TYR   9           HB1      TYR   9  11.340   0.678   2.819
   62    HD1  TYR   9           HD1      TYR   9  10.812   2.767   1.235
   63    HD2  TYR   9           HD2      TYR   9   9.297   2.234   5.175
   64    HE1  TYR   9           HE1      TYR   9  10.449   5.193   1.415
   65    HE2  TYR   9           HE2      TYR   9   8.928   4.656   5.366
   66    HH   TYR   9           HH       TYR   9   8.978   6.744   2.743
   67    H    ARG  10           HN       ARG  10   9.910  -1.027  -0.126
   68    HA   ARG  10           HA       ARG  10  10.732  -3.524   1.210
   69    HB2  ARG  10           HB2      ARG  10   8.733  -3.880  -0.154
   70    HB3  ARG  10           HB1      ARG  10   9.532  -3.161  -1.547
   71    HG2  ARG  10           HG2      ARG  10  11.184  -4.980  -1.519
   72    HG3  ARG  10           HG1      ARG  10  10.340  -5.705  -0.152
   73    HD2  ARG  10           HD2      ARG  10   8.360  -6.031  -1.502
   74    HD3  ARG  10           HD1      ARG  10   9.121  -5.205  -2.863
   75    HE   ARG  10           HE       ARG  10  10.769  -7.330  -2.104
   76   HH11  ARG  10          HH11      ARG  10   7.591  -6.832  -3.496
   77   HH12  ARG  10          HH12      ARG  10   7.624  -8.312  -4.403
   78   HH21  ARG  10          HH21      ARG  10  10.809  -9.273  -3.303
   79   HH22  ARG  10          HH22      ARG  10   9.447  -9.697  -4.292
   80    H    ASN  11           HN       ASN  11  12.835  -3.800   1.155
   81    HA   ASN  11           HA       ASN  11  15.018  -3.768   0.542
   82    HB2  ASN  11           HB2      ASN  11  14.077  -4.900  -1.510
   83    HB3  ASN  11           HB1      ASN  11  14.035  -3.322  -2.288
   84   HD21  ASN  11          HD21      ASN  11  15.478  -3.854  -3.873
   85   HD22  ASN  11          HD22      ASN  11  17.158  -4.125  -3.568
   86    H    GLY  12           HN       GLY  12  13.667  -1.370   1.338
   87    HA2  GLY  12           HA2      GLY  12  14.392   0.795   1.712
   88    HA3  GLY  12           HA1      GLY  12  15.665   0.542   0.529
   89    H    VAL  13           HN       VAL  13  12.901  -0.408  -0.958
   90    HA   VAL  13           HA       VAL  13  12.679   2.181  -2.312
   91    HB   VAL  13           HB       VAL  13  11.555  -0.456  -3.245
   92   HG11  VAL  13          HG11      VAL  13  10.551   1.477  -4.291
   93   HG12  VAL  13          HG12      VAL  13  11.581   0.637  -5.450
   94   HG13  VAL  13          HG13      VAL  13  12.142   2.123  -4.686
   95   HG21  VAL  13          HG21      VAL  13  13.514  -0.679  -4.683
   96   HG22  VAL  13          HG22      VAL  13  13.976  -0.674  -2.981
   97   HG23  VAL  13          HG23      VAL  13  14.214   0.771  -3.963
   98    H    ARG  14           HN       ARG  14  10.879   3.345  -2.259
   99    HA   ARG  14           HA       ARG  14   8.690   2.556  -0.556
  100    HB2  ARG  14           HB2      ARG  14   9.467   4.859  -0.527
  101    HB3  ARG  14           HB1      ARG  14   9.170   5.016  -2.249
  102    HG2  ARG  14           HG2      ARG  14   6.741   4.629  -1.772
  103    HG3  ARG  14           HG1      ARG  14   7.135   4.742  -0.053
  104    HD2  ARG  14           HD2      ARG  14   8.051   6.981  -0.413
  105    HD3  ARG  14           HD1      ARG  14   7.660   6.868  -2.126
  106    HE   ARG  14           HE       ARG  14   5.736   7.115   0.080
  107   HH11  ARG  14          HH11      ARG  14   6.414   7.096  -3.359
  108   HH12  ARG  14          HH12      ARG  14   4.902   7.828  -3.784
  109   HH21  ARG  14          HH21      ARG  14   3.755   8.083  -0.480
  110   HH22  ARG  14          HH22      ARG  14   3.389   8.390  -2.149
  111    H    VAL  15           HN       VAL  15   7.246   1.144  -1.340
  112    HA   VAL  15           HA       VAL  15   6.426   1.465  -4.147
  113    HB   VAL  15           HB       VAL  15   7.520  -0.668  -3.780
  114   HG11  VAL  15          HG11      VAL  15   6.555  -2.385  -2.327
  115   HG12  VAL  15          HG12      VAL  15   5.389  -1.206  -1.726
  116   HG13  VAL  15          HG13      VAL  15   7.112  -0.981  -1.417
  117   HG21  VAL  15          HG21      VAL  15   5.718  -0.563  -5.414
  118   HG22  VAL  15          HG22      VAL  15   4.550  -0.988  -4.165
  119   HG23  VAL  15          HG23      VAL  15   5.784  -2.150  -4.649
  120    H    CYS  16           HN       CYS  16   4.460   2.158  -4.502
  121    HA   CYS  16           HA       CYS  16   2.498   2.044  -2.324
  122    HB2  CYS  16           HB2      CYS  16   2.478   3.713  -4.839
  123    HB3  CYS  16           HB1      CYS  16   1.322   3.821  -3.518
  124    H    HIS  17           HN       HIS  17   0.778   0.787  -2.465
  125    HA   HIS  17           HA       HIS  17  -0.015  -0.228  -5.095
  126    HB2  HIS  17           HB2      HIS  17  -0.340  -2.492  -4.170
  127    HB3  HIS  17           HB1      HIS  17   1.337  -1.996  -4.155
  128    HD1  HIS  17           HD1      HIS  17   2.183  -1.114  -1.677
  129    HD2  HIS  17           HD2      HIS  17  -1.242  -3.457  -1.815
  130    HE1  HIS  17           HE1      HIS  17   1.803  -1.894   0.681
  131    HE2  HIS  17           HE2      HIS  17  -0.098  -3.536   0.502
  132    H    ARG  18           HN       ARG  18  -2.127  -1.115  -5.162
  133    HA   ARG  18           HA       ARG  18  -3.947   0.408  -3.461
  134    HB2  ARG  18           HB2      ARG  18  -4.486  -1.256  -5.929
  135    HB3  ARG  18           HB1      ARG  18  -5.689  -0.307  -5.070
  136    HG2  ARG  18           HG2      ARG  18  -4.490   1.735  -5.618
  137    HG3  ARG  18           HG1      ARG  18  -3.250   0.791  -6.445
  138    HD2  ARG  18           HD2      ARG  18  -6.166   0.933  -7.192
  139    HD3  ARG  18           HD1      ARG  18  -4.840   1.733  -8.036
  140    HE   ARG  18           HE       ARG  18  -4.090  -0.847  -8.110
  141   HH11  ARG  18          HH11      ARG  18  -7.116   0.720  -8.922
  142   HH12  ARG  18          HH12      ARG  18  -7.539  -0.444 -10.138
  143   HH21  ARG  18          HH21      ARG  18  -4.646  -2.381  -9.705
  144   HH22  ARG  18          HH22      ARG  18  -6.124  -2.198 -10.595
  145    H    ARG  19           HN       ARG  19  -4.213  -0.636  -1.549
  146    HA   ARG  19           HA       ARG  19  -4.579  -3.519  -1.540
  147    HB2  ARG  19           HB2      ARG  19  -3.232  -2.413   0.221
  148    HB3  ARG  19           HB1      ARG  19  -4.675  -1.579   0.774
  149    HG2  ARG  19           HG2      ARG  19  -4.238  -3.472   2.188
  150    HG3  ARG  19           HG1      ARG  19  -5.711  -3.759   1.261
  151    HD2  ARG  19           HD2      ARG  19  -4.502  -5.169  -0.288
  152    HD3  ARG  19           HD1      ARG  19  -2.982  -4.816   0.531
  153    HE   ARG  19           HE       ARG  19  -4.807  -5.890   2.378
  154   HH11  ARG  19          HH11      ARG  19  -2.865  -6.855  -0.369
  155   HH12  ARG  19          HH12      ARG  19  -2.743  -8.508   0.133
  156   HH21  ARG  19          HH21      ARG  19  -4.646  -8.073   3.046
  157   HH22  ARG  19          HH22      ARG  19  -3.764  -9.204   2.069
  158    H    ALA  20           HN       ALA  20  -6.462  -4.472  -1.592
  159    HA   ALA  20           HA       ALA  20  -8.881  -3.101  -0.739
  160    HB1  ALA  20           HB1      ALA  20  -8.628  -2.416  -3.079
  161    HB2  ALA  20           HB2      ALA  20 -10.033  -3.460  -2.860
  162    HB3  ALA  20           HB3      ALA  20  -8.553  -4.109  -3.566
  163    H    ASN  21           HN       ASN  21  -9.070  -4.688   0.823
  164    HA   ASN  21           HA       ASN  21  -8.867  -7.471   0.243
  165    HB2  ASN  21           HB2      ASN  21 -10.038  -6.037   2.638
  166    HB3  ASN  21           HB1      ASN  21  -9.794  -7.777   2.540
  167   HD21  ASN  21          HD21      ASN  21  -8.374  -7.870   4.226
  168   HD22  ASN  21          HD22      ASN  21  -6.776  -7.208   4.155
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -13.403  -2.542  -3.947
    2    H2   GLY   1           HT2      GLY   1 -12.711  -1.111  -4.518
    3    H3   GLY   1           HT3      GLY   1 -14.334  -1.450  -4.842
    4    HA2  GLY   1           HA1      GLY   1 -14.164   0.194  -3.105
    5    HA3  GLY   1           HA2      GLY   1 -14.872  -1.295  -2.501
    6    H    PHE   2           HN       PHE   2 -13.454   0.848  -1.097
    7    HA   PHE   2           HA       PHE   2 -11.974   1.130   0.596
    8    HB2  PHE   2           HB2      PHE   2 -11.891  -1.891   0.637
    9    HB3  PHE   2           HB1      PHE   2 -11.361  -0.824   1.932
   10    HD1  PHE   2           HD1      PHE   2 -13.134   0.749   2.937
   11    HD2  PHE   2           HD2      PHE   2 -14.070  -2.675   0.593
   12    HE1  PHE   2           HE1      PHE   2 -15.396   0.717   3.896
   13    HE2  PHE   2           HE2      PHE   2 -16.335  -2.713   1.552
   14    HZ   PHE   2           HZ       PHE   2 -17.008  -1.012   3.183
   15    H    ALA   3           HN       ALA   3 -10.911   1.340  -1.942
   16    HA   ALA   3           HA       ALA   3  -8.378  -0.090  -1.946
   17    HB1  ALA   3           HB1      ALA   3  -9.483   1.919  -3.900
   18    HB2  ALA   3           HB2      ALA   3  -9.554   0.163  -4.063
   19    HB3  ALA   3           HB3      ALA   3  -7.997   0.991  -4.102
   20    H    TRP   4           HN       TRP   4  -7.109   0.723  -0.365
   21    HA   TRP   4           HA       TRP   4  -6.660   3.606  -0.282
   22    HB2  TRP   4           HB2      TRP   4  -5.057   1.798   1.431
   23    HB3  TRP   4           HB1      TRP   4  -5.780   3.343   1.814
   24    HD1  TRP   4           HD1      TRP   4  -6.243  -0.303   2.289
   25    HE1  TRP   4           HE1      TRP   4  -8.495  -0.756   3.477
   26    HE3  TRP   4           HE3      TRP   4  -8.284   4.321   1.853
   27    HZ2  TRP   4           HZ2      TRP   4 -10.841   0.700   4.132
   28    HZ3  TRP   4           HZ3      TRP   4 -10.537   4.736   2.776
   29    HH2  TRP   4           HH2      TRP   4 -11.785   2.957   3.892
   30    H    ASN   5           HN       ASN   5  -4.820   4.543  -1.028
   31    HA   ASN   5           HA       ASN   5  -2.940   2.954  -2.513
   32    HB2  ASN   5           HB2      ASN   5  -2.975   5.884  -1.760
   33    HB3  ASN   5           HB1      ASN   5  -1.683   5.150  -2.700
   34   HD21  ASN   5          HD21      ASN   5  -2.044   6.354  -4.505
   35   HD22  ASN   5          HD22      ASN   5  -3.439   6.169  -5.505
   36    H    VAL   6           HN       VAL   6  -1.838   1.600  -1.245
   37    HA   VAL   6           HA       VAL   6  -0.776   2.576   1.295
   38    HB   VAL   6           HB       VAL   6  -1.200  -0.247   0.296
   39   HG11  VAL   6          HG11      VAL   6  -0.079   0.702   2.932
   40   HG12  VAL   6          HG12      VAL   6   0.801  -0.164   1.673
   41   HG13  VAL   6          HG13      VAL   6  -0.509  -0.963   2.543
   42   HG21  VAL   6          HG21      VAL   6  -3.249   0.880   0.938
   43   HG22  VAL   6          HG22      VAL   6  -2.538   1.326   2.490
   44   HG23  VAL   6          HG23      VAL   6  -2.839  -0.371   2.113
   45    H    CYS   7           HN       CYS   7   1.161   3.366   1.113
   46    HA   CYS   7           HA       CYS   7   3.105   2.070  -0.659
   47    HB2  CYS   7           HB2      CYS   7   3.287   4.754   0.713
   48    HB3  CYS   7           HB1      CYS   7   4.413   4.115  -0.473
   49    H    VAL   8           HN       VAL   8   4.755   0.958   0.150
   50    HA   VAL   8           HA       VAL   8   5.484   1.329   2.973
   51    HB   VAL   8           HB       VAL   8   5.786  -1.182   3.154
   52   HG11  VAL   8          HG11      VAL   8   3.986  -0.027   4.297
   53   HG12  VAL   8          HG12      VAL   8   3.432  -1.595   3.704
   54   HG13  VAL   8          HG13      VAL   8   2.982  -0.117   2.850
   55   HG21  VAL   8          HG21      VAL   8   4.405  -2.583   1.686
   56   HG22  VAL   8          HG22      VAL   8   5.661  -1.733   0.786
   57   HG23  VAL   8          HG23      VAL   8   3.995  -1.162   0.726
   58    H    TYR   9           HN       TYR   9   7.632   0.716   3.471
   59    HA   TYR   9           HA       TYR   9   9.384   0.948   1.169
   60    HB2  TYR   9           HB2      TYR   9   9.800   1.200   4.133
   61    HB3  TYR   9           HB1      TYR   9  11.164   1.071   3.029
   62    HD1  TYR   9           HD1      TYR   9  11.786   2.913   1.603
   63    HD2  TYR   9           HD2      TYR   9   8.302   3.145   4.036
   64    HE1  TYR   9           HE1      TYR   9  11.657   5.333   1.181
   65    HE2  TYR   9           HE2      TYR   9   8.163   5.561   3.616
   66    HH   TYR   9           HH       TYR   9  10.029   7.125   1.218
   67    H    ARG  10           HN       ARG  10  10.047  -0.780   0.171
   68    HA   ARG  10           HA       ARG  10  10.814  -3.137   1.739
   69    HB2  ARG  10           HB2      ARG  10   9.084  -3.178  -0.733
   70    HB3  ARG  10           HB1      ARG  10   9.800  -4.603   0.013
   71    HG2  ARG  10           HG2      ARG  10   8.548  -4.117   2.076
   72    HG3  ARG  10           HG1      ARG  10   7.782  -2.751   1.262
   73    HD2  ARG  10           HD2      ARG  10   6.295  -4.619   1.182
   74    HD3  ARG  10           HD1      ARG  10   6.918  -4.326  -0.439
   75    HE   ARG  10           HE       ARG  10   8.512  -6.248   0.896
   76   HH11  ARG  10          HH11      ARG  10   5.412  -5.850  -0.660
   77   HH12  ARG  10          HH12      ARG  10   5.268  -7.522  -1.098
   78   HH21  ARG  10          HH21      ARG  10   8.337  -8.452   0.319
   79   HH22  ARG  10          HH22      ARG  10   6.933  -9.005  -0.537
   80    H    ASN  11           HN       ASN  11  12.729  -3.953   1.115
   81    HA   ASN  11           HA       ASN  11  14.723  -4.147   0.049
   82    HB2  ASN  11           HB2      ASN  11  13.084  -3.542  -2.424
   83    HB3  ASN  11           HB1      ASN  11  14.741  -4.136  -2.429
   84   HD21  ASN  11          HD21      ASN  11  11.420  -4.929  -1.959
   85   HD22  ASN  11          HD22      ASN  11  11.626  -6.641  -1.823
   86    H    GLY  12           HN       GLY  12  13.802  -1.568   1.077
   87    HA2  GLY  12           HA2      GLY  12  14.965   0.411   1.375
   88    HA3  GLY  12           HA1      GLY  12  15.984  -0.018   0.014
   89    H    VAL  13           HN       VAL  13  12.680  -0.214  -0.769
   90    HA   VAL  13           HA       VAL  13  12.648   2.574  -1.690
   91    HB   VAL  13           HB       VAL  13  13.355   1.146  -3.568
   92   HG11  VAL  13          HG11      VAL  13  12.222  -0.916  -2.999
   93   HG12  VAL  13          HG12      VAL  13  11.764  -0.391  -4.620
   94   HG13  VAL  13          HG13      VAL  13  10.659  -0.148  -3.269
   95   HG21  VAL  13          HG21      VAL  13  11.709   1.964  -5.209
   96   HG22  VAL  13          HG22      VAL  13  12.186   3.204  -4.052
   97   HG23  VAL  13          HG23      VAL  13  10.631   2.389  -3.881
   98    H    ARG  14           HN       ARG  14  10.645   3.544  -1.815
   99    HA   ARG  14           HA       ARG  14   8.542   2.318  -0.271
  100    HB2  ARG  14           HB2      ARG  14   9.143   4.720  -0.070
  101    HB3  ARG  14           HB1      ARG  14   8.606   4.966  -1.726
  102    HG2  ARG  14           HG2      ARG  14   6.346   4.254  -1.069
  103    HG3  ARG  14           HG1      ARG  14   6.904   4.111   0.602
  104    HD2  ARG  14           HD2      ARG  14   5.876   6.234   0.420
  105    HD3  ARG  14           HD1      ARG  14   7.617   6.513   0.446
  106    HE   ARG  14           HE       ARG  14   7.012   6.372  -2.205
  107   HH11  ARG  14          HH11      ARG  14   5.819   8.297   0.470
  108   HH12  ARG  14          HH12      ARG  14   5.431   9.664  -0.525
  109   HH21  ARG  14          HH21      ARG  14   6.506   8.176  -3.509
  110   HH22  ARG  14          HH22      ARG  14   5.827   9.598  -2.782
  111    H    VAL  15           HN       VAL  15   7.388   0.799  -1.291
  112    HA   VAL  15           HA       VAL  15   6.645   1.205  -4.091
  113    HB   VAL  15           HB       VAL  15   7.604  -0.974  -3.491
  114   HG11  VAL  15          HG11      VAL  15   6.371  -2.569  -2.123
  115   HG12  VAL  15          HG12      VAL  15   5.177  -1.327  -1.751
  116   HG13  VAL  15          HG13      VAL  15   6.840  -1.146  -1.195
  117   HG21  VAL  15          HG21      VAL  15   5.891  -2.392  -4.524
  118   HG22  VAL  15          HG22      VAL  15   6.075  -0.853  -5.366
  119   HG23  VAL  15          HG23      VAL  15   4.704  -1.110  -4.286
  120    H    CYS  16           HN       CYS  16   4.604   1.622  -4.721
  121    HA   CYS  16           HA       CYS  16   2.590   1.861  -2.592
  122    HB2  CYS  16           HB2      CYS  16   2.885   3.455  -5.140
  123    HB3  CYS  16           HB1      CYS  16   1.551   3.612  -4.006
  124    H    HIS  17           HN       HIS  17   0.661   0.912  -2.845
  125    HA   HIS  17           HA       HIS  17  -0.125  -0.154  -5.424
  126    HB2  HIS  17           HB2      HIS  17  -0.572  -2.423  -4.361
  127    HB3  HIS  17           HB1      HIS  17   1.101  -2.038  -4.718
  128    HD1  HIS  17           HD1      HIS  17   2.645  -2.661  -2.888
  129    HD2  HIS  17           HD2      HIS  17  -1.155  -1.762  -1.457
  130    HE1  HIS  17           HE1      HIS  17   2.752  -3.016  -0.400
  131    HE2  HIS  17           HE2      HIS  17   0.387  -2.705   0.393
  132    H    ARG  18           HN       ARG  18  -2.281  -1.006  -5.424
  133    HA   ARG  18           HA       ARG  18  -3.990   0.506  -3.619
  134    HB2  ARG  18           HB2      ARG  18  -5.825  -0.345  -5.155
  135    HB3  ARG  18           HB1      ARG  18  -4.638   0.723  -5.886
  136    HG2  ARG  18           HG2      ARG  18  -3.481  -1.246  -6.812
  137    HG3  ARG  18           HG1      ARG  18  -4.743  -2.277  -6.137
  138    HD2  ARG  18           HD2      ARG  18  -6.408  -1.212  -7.512
  139    HD3  ARG  18           HD1      ARG  18  -5.229  -0.037  -8.096
  140    HE   ARG  18           HE       ARG  18  -4.403  -2.706  -8.647
  141   HH11  ARG  18          HH11      ARG  18  -6.610  -0.221  -9.724
  142   HH12  ARG  18          HH12      ARG  18  -6.601  -0.743 -11.376
  143   HH21  ARG  18          HH21      ARG  18  -4.402  -3.417 -10.824
  144   HH22  ARG  18          HH22      ARG  18  -5.352  -2.565 -12.002
  145    H    ARG  19           HN       ARG  19  -4.624  -0.361  -1.804
  146    HA   ARG  19           HA       ARG  19  -4.329  -3.130  -1.209
  147    HB2  ARG  19           HB2      ARG  19  -4.158  -1.195   0.416
  148    HB3  ARG  19           HB1      ARG  19  -5.909  -1.083   0.349
  149    HG2  ARG  19           HG2      ARG  19  -5.287  -2.293   2.313
  150    HG3  ARG  19           HG1      ARG  19  -6.043  -3.414   1.181
  151    HD2  ARG  19           HD2      ARG  19  -3.908  -4.289   0.529
  152    HD3  ARG  19           HD1      ARG  19  -3.063  -3.055   1.464
  153    HE   ARG  19           HE       ARG  19  -4.680  -4.434   3.242
  154   HH11  ARG  19          HH11      ARG  19  -1.985  -5.174   1.133
  155   HH12  ARG  19          HH12      ARG  19  -1.373  -6.433   2.157
  156   HH21  ARG  19          HH21      ARG  19  -3.877  -6.086   4.583
  157   HH22  ARG  19          HH22      ARG  19  -2.444  -6.951   4.122
  158    H    ALA  20           HN       ALA  20  -5.854  -4.726  -1.011
  159    HA   ALA  20           HA       ALA  20  -7.748  -5.907  -1.367
  160    HB1  ALA  20           HB1      ALA  20  -9.175  -3.291  -0.916
  161    HB2  ALA  20           HB2      ALA  20  -8.642  -4.392   0.353
  162    HB3  ALA  20           HB3      ALA  20  -9.870  -4.908  -0.800
  163    H    ASN  21           HN       ASN  21  -6.809  -5.936  -3.606
  164    HA   ASN  21           HA       ASN  21  -8.590  -4.578  -5.502
  165    HB2  ASN  21           HB2      ASN  21  -6.786  -5.226  -7.206
  166    HB3  ASN  21           HB1      ASN  21  -6.405  -3.947  -6.065
  167   HD21  ASN  21          HD21      ASN  21  -6.378  -7.409  -5.369
  168   HD22  ASN  21          HD22      ASN  21  -4.669  -7.511  -5.094
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -13.613   1.315  -5.667
    2    H2   GLY   1           HT2      GLY   1 -13.769   2.956  -5.297
    3    H3   GLY   1           HT3      GLY   1 -14.926   2.193  -6.266
    4    HA2  GLY   1           HA1      GLY   1 -15.782   2.519  -4.042
    5    HA3  GLY   1           HA2      GLY   1 -15.626   0.811  -4.427
    6    H    PHE   2           HN       PHE   2 -12.859   0.526  -4.117
    7    HA   PHE   2           HA       PHE   2 -12.519   1.083  -1.241
    8    HB2  PHE   2           HB2      PHE   2 -11.519  -1.345  -2.751
    9    HB3  PHE   2           HB1      PHE   2 -11.370  -1.051  -1.021
   10    HD1  PHE   2           HD1      PHE   2 -13.248  -2.658  -3.513
   11    HD2  PHE   2           HD2      PHE   2 -13.640  -0.694   0.237
   12    HE1  PHE   2           HE1      PHE   2 -15.386  -3.815  -3.138
   13    HE2  PHE   2           HE2      PHE   2 -15.776  -1.846   0.619
   14    HZ   PHE   2           HZ       PHE   2 -16.662  -3.400  -1.092
   15    H    ALA   3           HN       ALA   3 -11.522   3.062  -2.245
   16    HA   ALA   3           HA       ALA   3  -8.941   2.575  -3.520
   17    HB1  ALA   3           HB1      ALA   3 -10.464   4.162  -4.593
   18    HB2  ALA   3           HB2      ALA   3  -8.965   4.941  -4.081
   19    HB3  ALA   3           HB3      ALA   3 -10.439   5.162  -3.140
   20    H    TRP   4           HN       TRP   4  -7.846   1.853  -1.634
   21    HA   TRP   4           HA       TRP   4  -6.812   4.157  -0.180
   22    HB2  TRP   4           HB2      TRP   4  -6.282   2.297   1.621
   23    HB3  TRP   4           HB1      TRP   4  -7.785   3.201   1.642
   24    HD1  TRP   4           HD1      TRP   4  -6.449  -0.242   0.424
   25    HE1  TRP   4           HE1      TRP   4  -8.396  -1.929   0.617
   26    HE3  TRP   4           HE3      TRP   4 -10.152   2.959   1.883
   27    HZ2  TRP   4           HZ2      TRP   4 -11.136  -1.894   1.309
   28    HZ3  TRP   4           HZ3      TRP   4 -12.405   2.059   2.300
   29    HH2  TRP   4           HH2      TRP   4 -12.883  -0.320   2.017
   30    H    ASN   5           HN       ASN   5  -4.772   4.469  -0.590
   31    HA   ASN   5           HA       ASN   5  -3.226   2.291  -1.760
   32    HB2  ASN   5           HB2      ASN   5  -1.587   3.995  -2.388
   33    HB3  ASN   5           HB1      ASN   5  -3.192   4.447  -2.944
   34   HD21  ASN   5          HD21      ASN   5  -4.236   6.193  -1.994
   35   HD22  ASN   5          HD22      ASN   5  -3.393   7.348  -1.025
   36    H    VAL   6           HN       VAL   6  -1.670   1.273  -0.759
   37    HA   VAL   6           HA       VAL   6  -0.793   2.246   1.872
   38    HB   VAL   6           HB       VAL   6  -1.109  -0.581   0.845
   39   HG11  VAL   6          HG11      VAL   6   0.990  -0.456   2.070
   40   HG12  VAL   6          HG12      VAL   6  -0.216  -1.328   3.014
   41   HG13  VAL   6          HG13      VAL   6   0.179   0.343   3.417
   42   HG21  VAL   6          HG21      VAL   6  -2.340   0.899   3.166
   43   HG22  VAL   6          HG22      VAL   6  -2.577  -0.812   2.810
   44   HG23  VAL   6          HG23      VAL   6  -3.151   0.411   1.676
   45    H    CYS   7           HN       CYS   7   1.121   3.148   1.659
   46    HA   CYS   7           HA       CYS   7   3.035   2.115  -0.291
   47    HB2  CYS   7           HB2      CYS   7   3.238   4.572   1.454
   48    HB3  CYS   7           HB1      CYS   7   4.283   4.156   0.104
   49    H    VAL   8           HN       VAL   8   4.780   0.977   0.285
   50    HA   VAL   8           HA       VAL   8   5.640   1.038   3.090
   51    HB   VAL   8           HB       VAL   8   6.042  -1.451   2.985
   52   HG11  VAL   8          HG11      VAL   8   4.225  -0.532   4.293
   53   HG12  VAL   8          HG12      VAL   8   3.717  -2.036   3.525
   54   HG13  VAL   8          HG13      VAL   8   3.188  -0.489   2.868
   55   HG21  VAL   8          HG21      VAL   8   4.690  -2.754   1.410
   56   HG22  VAL   8          HG22      VAL   8   5.877  -1.751   0.576
   57   HG23  VAL   8          HG23      VAL   8   4.182  -1.263   0.618
   58    H    TYR   9           HN       TYR   9   7.813   0.413   3.424
   59    HA   TYR   9           HA       TYR   9   9.487   0.877   1.080
   60    HB2  TYR   9           HB2      TYR   9  10.115   0.861   4.038
   61    HB3  TYR   9           HB1      TYR   9  11.299   1.148   2.774
   62    HD1  TYR   9           HD1      TYR   9  11.285   3.231   1.499
   63    HD2  TYR   9           HD2      TYR   9   8.483   2.538   4.623
   64    HE1  TYR   9           HE1      TYR   9  10.734   5.624   1.526
   65    HE2  TYR   9           HE2      TYR   9   7.925   4.931   4.659
   66    HH   TYR   9           HH       TYR   9   8.969   7.073   4.019
   67    H    ARG  10           HN       ARG  10   9.895  -0.941   0.002
   68    HA   ARG  10           HA       ARG  10  10.812  -3.257   1.568
   69    HB2  ARG  10           HB2      ARG  10   9.046  -3.334  -0.881
   70    HB3  ARG  10           HB1      ARG  10   9.754  -4.744  -0.104
   71    HG2  ARG  10           HG2      ARG  10   7.804  -2.835   1.150
   72    HG3  ARG  10           HG1      ARG  10   7.424  -4.445   0.535
   73    HD2  ARG  10           HD2      ARG  10   8.963  -5.417   2.179
   74    HD3  ARG  10           HD1      ARG  10   9.321  -3.803   2.791
   75    HE   ARG  10           HE       ARG  10   6.747  -5.203   3.038
   76   HH11  ARG  10          HH11      ARG  10   8.913  -2.619   4.002
   77   HH12  ARG  10          HH12      ARG  10   7.984  -2.197   5.406
   78   HH21  ARG  10          HH21      ARG  10   5.519  -4.635   4.882
   79   HH22  ARG  10          HH22      ARG  10   6.061  -3.348   5.909
   80    H    ASN  11           HN       ASN  11  12.743  -3.878   1.071
   81    HA   ASN  11           HA       ASN  11  14.735  -4.159   0.027
   82    HB2  ASN  11           HB2      ASN  11  13.052  -3.999  -2.486
   83    HB3  ASN  11           HB1      ASN  11  14.738  -4.505  -2.438
   84   HD21  ASN  11          HD21      ASN  11  11.467  -5.378  -1.754
   85   HD22  ASN  11          HD22      ASN  11  11.762  -7.040  -1.379
   86    H    GLY  12           HN       GLY  12  13.730  -1.484   0.675
   87    HA2  GLY  12           HA2      GLY  12  15.003   0.465   0.757
   88    HA3  GLY  12           HA1      GLY  12  15.900  -0.082  -0.646
   89    H    VAL  13           HN       VAL  13  12.543  -0.316  -1.120
   90    HA   VAL  13           HA       VAL  13  12.500   2.353  -2.348
   91    HB   VAL  13           HB       VAL  13  12.913   0.587  -4.064
   92   HG11  VAL  13          HG11      VAL  13  10.130  -0.295  -3.342
   93   HG12  VAL  13          HG12      VAL  13  11.616  -1.225  -3.147
   94   HG13  VAL  13          HG13      VAL  13  11.028  -0.828  -4.762
   95   HG21  VAL  13          HG21      VAL  13  11.247   1.414  -5.662
   96   HG22  VAL  13          HG22      VAL  13  11.945   2.716  -4.698
   97   HG23  VAL  13          HG23      VAL  13  10.332   2.111  -4.325
   98    H    ARG  14           HN       ARG  14  10.542   3.379  -2.440
   99    HA   ARG  14           HA       ARG  14   8.532   2.445  -0.551
  100    HB2  ARG  14           HB2      ARG  14   9.275   4.758  -0.368
  101    HB3  ARG  14           HB1      ARG  14   8.843   5.055  -2.046
  102    HG2  ARG  14           HG2      ARG  14   6.475   4.559  -1.451
  103    HG3  ARG  14           HG1      ARG  14   6.975   4.479   0.239
  104    HD2  ARG  14           HD2      ARG  14   7.779   6.783   0.110
  105    HD3  ARG  14           HD1      ARG  14   7.293   6.862  -1.582
  106    HE   ARG  14           HE       ARG  14   5.289   6.313   0.491
  107   HH11  ARG  14          HH11      ARG  14   6.574   8.428  -1.991
  108   HH12  ARG  14          HH12      ARG  14   5.142   9.401  -2.077
  109   HH21  ARG  14          HH21      ARG  14   3.409   7.608   0.388
  110   HH22  ARG  14          HH22      ARG  14   3.348   8.941  -0.719
  111    H    VAL  15           HN       VAL  15   7.079   1.070  -1.381
  112    HA   VAL  15           HA       VAL  15   6.100   1.575  -4.107
  113    HB   VAL  15           HB       VAL  15   7.078  -0.628  -3.853
  114   HG11  VAL  15          HG11      VAL  15   6.781  -0.952  -1.467
  115   HG12  VAL  15          HG12      VAL  15   6.124  -2.318  -2.369
  116   HG13  VAL  15          HG13      VAL  15   5.039  -1.106  -1.691
  117   HG21  VAL  15          HG21      VAL  15   5.210  -0.423  -5.382
  118   HG22  VAL  15          HG22      VAL  15   4.075  -0.737  -4.072
  119   HG23  VAL  15          HG23      VAL  15   5.181  -2.003  -4.601
  120    H    CYS  16           HN       CYS  16   4.114   2.294  -4.390
  121    HA   CYS  16           HA       CYS  16   2.225   2.116  -2.145
  122    HB2  CYS  16           HB2      CYS  16   2.268   4.060  -4.454
  123    HB3  CYS  16           HB1      CYS  16   1.074   4.042  -3.165
  124    H    HIS  17           HN       HIS  17   0.438   0.980  -2.384
  125    HA   HIS  17           HA       HIS  17  -0.732   0.471  -4.969
  126    HB2  HIS  17           HB2      HIS  17  -0.687  -1.980  -4.723
  127    HB3  HIS  17           HB1      HIS  17   0.916  -1.312  -4.929
  128    HD1  HIS  17           HD1      HIS  17  -1.236  -3.159  -2.524
  129    HD2  HIS  17           HD2      HIS  17   2.587  -1.521  -2.632
  130    HE1  HIS  17           HE1      HIS  17  -0.051  -4.064  -0.501
  131    HE2  HIS  17           HE2      HIS  17   2.300  -3.190  -0.673
  132    H    ARG  18           HN       ARG  18  -2.740  -0.684  -4.795
  133    HA   ARG  18           HA       ARG  18  -4.284   0.079  -2.510
  134    HB2  ARG  18           HB2      ARG  18  -4.921  -1.798  -4.799
  135    HB3  ARG  18           HB1      ARG  18  -6.086  -1.257  -3.599
  136    HG2  ARG  18           HG2      ARG  18  -5.990   0.973  -4.374
  137    HG3  ARG  18           HG1      ARG  18  -4.573   0.636  -5.372
  138    HD2  ARG  18           HD2      ARG  18  -7.331  -0.520  -5.763
  139    HD3  ARG  18           HD1      ARG  18  -6.602   0.764  -6.730
  140    HE   ARG  18           HE       ARG  18  -4.835  -1.326  -6.863
  141   HH11  ARG  18          HH11      ARG  18  -8.201  -0.851  -7.688
  142   HH12  ARG  18          HH12      ARG  18  -8.179  -2.026  -8.963
  143   HH21  ARG  18          HH21      ARG  18  -4.806  -2.884  -8.510
  144   HH22  ARG  18          HH22      ARG  18  -6.246  -3.190  -9.425
  145    H    ARG  19           HN       ARG  19  -4.799  -1.103  -0.728
  146    HA   ARG  19           HA       ARG  19  -3.268  -3.451  -0.197
  147    HB2  ARG  19           HB2      ARG  19  -3.834  -1.900   1.597
  148    HB3  ARG  19           HB1      ARG  19  -5.545  -2.240   1.381
  149    HG2  ARG  19           HG2      ARG  19  -5.204  -4.534   2.069
  150    HG3  ARG  19           HG1      ARG  19  -3.468  -4.262   2.202
  151    HD2  ARG  19           HD2      ARG  19  -3.840  -2.650   3.985
  152    HD3  ARG  19           HD1      ARG  19  -5.582  -2.859   3.829
  153    HE   ARG  19           HE       ARG  19  -4.436  -5.368   4.292
  154   HH11  ARG  19          HH11      ARG  19  -4.891  -2.336   5.982
  155   HH12  ARG  19          HH12      ARG  19  -4.964  -3.080   7.546
  156   HH21  ARG  19          HH21      ARG  19  -4.538  -6.348   6.342
  157   HH22  ARG  19          HH22      ARG  19  -4.760  -5.361   7.754
  158    H    ALA  20           HN       ALA  20  -3.720  -5.441  -0.701
  159    HA   ALA  20           HA       ALA  20  -6.277  -6.086  -1.905
  160    HB1  ALA  20           HB1      ALA  20  -5.221  -8.207  -2.506
  161    HB2  ALA  20           HB2      ALA  20  -3.808  -7.782  -1.541
  162    HB3  ALA  20           HB3      ALA  20  -4.213  -6.839  -2.974
  163    H    ASN  21           HN       ASN  21  -6.996  -5.564   0.507
  164    HA   ASN  21           HA       ASN  21  -7.096  -8.108   1.982
  165    HB2  ASN  21           HB2      ASN  21  -6.115  -6.243   3.262
  166    HB3  ASN  21           HB1      ASN  21  -7.570  -5.292   2.995
  167   HD21  ASN  21          HD21      ASN  21  -6.177  -7.981   4.698
  168   HD22  ASN  21          HD22      ASN  21  -7.451  -8.164   5.852
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1 -14.438  -0.590  -3.142
    2    H2   GLY   1           HT2      GLY   1 -15.833   0.026  -2.417
    3    H3   GLY   1           HT3      GLY   1 -15.623  -1.646  -2.560
    4    HA2  GLY   1           HA1      GLY   1 -15.194  -0.930  -0.301
    5    HA3  GLY   1           HA2      GLY   1 -13.757  -1.595  -1.057
    6    H    PHE   2           HN       PHE   2 -13.297  -0.097   1.077
    7    HA   PHE   2           HA       PHE   2 -12.956   2.666   0.562
    8    HB2  PHE   2           HB2      PHE   2 -11.648   0.825   2.564
    9    HB3  PHE   2           HB1      PHE   2 -11.346   2.557   2.505
   10    HD1  PHE   2           HD1      PHE   2 -13.451   4.077   2.652
   11    HD2  PHE   2           HD2      PHE   2 -13.344   0.010   3.896
   12    HE1  PHE   2           HE1      PHE   2 -15.391   4.477   4.109
   13    HE2  PHE   2           HE2      PHE   2 -15.286   0.402   5.351
   14    HZ   PHE   2           HZ       PHE   2 -16.312   2.639   5.461
   15    H    ALA   3           HN       ALA   3 -11.475   3.673  -0.580
   16    HA   ALA   3           HA       ALA   3  -9.333   2.121  -1.780
   17    HB1  ALA   3           HB1      ALA   3 -10.705   3.563  -3.209
   18    HB2  ALA   3           HB2      ALA   3  -9.009   4.042  -3.237
   19    HB3  ALA   3           HB3      ALA   3 -10.174   4.970  -2.294
   20    H    TRP   4           HN       TRP   4  -8.030   1.874   0.111
   21    HA   TRP   4           HA       TRP   4  -6.537   4.306   0.759
   22    HB2  TRP   4           HB2      TRP   4  -5.425   2.469   2.388
   23    HB3  TRP   4           HB1      TRP   4  -6.781   3.487   2.840
   24    HD1  TRP   4           HD1      TRP   4  -6.411  -0.013   1.147
   25    HE1  TRP   4           HE1      TRP   4  -8.160  -1.567   2.225
   26    HE3  TRP   4           HE3      TRP   4  -8.556   3.321   4.314
   27    HZ2  TRP   4           HZ2      TRP   4 -10.187  -1.388   4.191
   28    HZ3  TRP   4           HZ3      TRP   4 -10.393   2.569   5.784
   29    HH2  TRP   4           HH2      TRP   4 -11.189   0.257   5.716
   30    H    ASN   5           HN       ASN   5  -4.613   4.621  -0.125
   31    HA   ASN   5           HA       ASN   5  -3.464   2.580  -1.811
   32    HB2  ASN   5           HB2      ASN   5  -1.755   4.325  -2.337
   33    HB3  ASN   5           HB1      ASN   5  -3.405   4.861  -2.628
   34   HD21  ASN   5          HD21      ASN   5  -0.526   5.341  -0.803
   35   HD22  ASN   5          HD22      ASN   5  -1.046   6.757   0.040
   36    H    VAL   6           HN       VAL   6  -2.012   1.153  -1.191
   37    HA   VAL   6           HA       VAL   6  -0.758   1.537   1.421
   38    HB   VAL   6           HB       VAL   6  -2.038  -0.422   1.538
   39   HG11  VAL   6          HG11      VAL   6  -2.564  -0.729  -0.797
   40   HG12  VAL   6          HG12      VAL   6  -1.958  -2.239  -0.117
   41   HG13  VAL   6          HG13      VAL   6  -0.910  -1.245  -1.130
   42   HG21  VAL   6          HG21      VAL   6   0.769  -1.292   0.871
   43   HG22  VAL   6          HG22      VAL   6  -0.415  -2.238   1.773
   44   HG23  VAL   6          HG23      VAL   6   0.197  -0.725   2.439
   45    H    CYS   7           HN       CYS   7   1.149   2.363   1.250
   46    HA   CYS   7           HA       CYS   7   3.020   1.333  -0.776
   47    HB2  CYS   7           HB2      CYS   7   3.108   3.968   0.709
   48    HB3  CYS   7           HB1      CYS   7   4.236   3.445  -0.533
   49    H    VAL   8           HN       VAL   8   4.898   0.408  -0.084
   50    HA   VAL   8           HA       VAL   8   5.556   0.651   2.771
   51    HB   VAL   8           HB       VAL   8   6.170  -1.797   2.784
   52   HG11  VAL   8          HG11      VAL   8   3.885  -2.550   3.226
   53   HG12  VAL   8          HG12      VAL   8   3.257  -1.105   2.433
   54   HG13  VAL   8          HG13      VAL   8   4.191  -0.959   3.921
   55   HG21  VAL   8          HG21      VAL   8   6.188  -2.192   0.386
   56   HG22  VAL   8          HG22      VAL   8   4.465  -1.829   0.296
   57   HG23  VAL   8          HG23      VAL   8   5.022  -3.252   1.175
   58    H    TYR   9           HN       TYR   9   7.726   0.360   3.289
   59    HA   TYR   9           HA       TYR   9   9.531   0.929   1.092
   60    HB2  TYR   9           HB2      TYR   9   9.957   0.854   4.086
   61    HB3  TYR   9           HB1      TYR   9  11.197   1.273   2.917
   62    HD1  TYR   9           HD1      TYR   9  10.974   3.354   1.576
   63    HD2  TYR   9           HD2      TYR   9   8.305   2.432   4.752
   64    HE1  TYR   9           HE1      TYR   9  10.245   5.700   1.632
   65    HE2  TYR   9           HE2      TYR   9   7.566   4.776   4.819
   66    HH   TYR   9           HH       TYR   9   8.363   7.021   2.350
   67    H    ARG  10           HN       ARG  10  10.340  -0.705   0.011
   68    HA   ARG  10           HA       ARG  10  11.049  -3.166   1.472
   69    HB2  ARG  10           HB2      ARG  10   9.247  -3.529  -0.139
   70    HB3  ARG  10           HB1      ARG  10  10.217  -2.808  -1.415
   71    HG2  ARG  10           HG2      ARG  10  11.851  -4.631  -1.169
   72    HG3  ARG  10           HG1      ARG  10  10.809  -5.369   0.048
   73    HD2  ARG  10           HD2      ARG  10   9.016  -5.557  -1.597
   74    HD3  ARG  10           HD1      ARG  10  10.048  -4.806  -2.810
   75    HE   ARG  10           HE       ARG  10  11.182  -7.171  -1.632
   76   HH11  ARG  10          HH11      ARG  10   9.105  -5.923  -4.158
   77   HH12  ARG  10          HH12      ARG  10   9.277  -7.319  -5.169
   78   HH21  ARG  10          HH21      ARG  10  11.412  -9.012  -2.962
   79   HH22  ARG  10          HH22      ARG  10  10.591  -9.082  -4.488
   80    H    ASN  11           HN       ASN  11  13.172  -3.063   1.846
   81    HA   ASN  11           HA       ASN  11  15.415  -2.912   1.523
   82    HB2  ASN  11           HB2      ASN  11  14.855  -4.511  -0.337
   83    HB3  ASN  11           HB1      ASN  11  14.797  -3.137  -1.430
   84   HD21  ASN  11          HD21      ASN  11  17.079  -3.592   1.214
   85   HD22  ASN  11          HD22      ASN  11  18.480  -3.726   0.212
   86    H    GLY  12           HN       GLY  12  13.735  -0.522   1.530
   87    HA2  GLY  12           HA2      GLY  12  14.705   1.658   1.729
   88    HA3  GLY  12           HA1      GLY  12  15.734   1.286   0.357
   89    H    VAL  13           HN       VAL  13  13.325   0.149  -1.103
   90    HA   VAL  13           HA       VAL  13  12.497   2.770  -2.092
   91    HB   VAL  13           HB       VAL  13  13.504   1.295  -3.746
   92   HG11  VAL  13          HG11      VAL  13  12.859  -0.869  -2.867
   93   HG12  VAL  13          HG12      VAL  13  12.345  -0.707  -4.547
   94   HG13  VAL  13          HG13      VAL  13  11.168  -0.534  -3.244
   95   HG21  VAL  13          HG21      VAL  13  11.896   2.933  -4.510
   96   HG22  VAL  13          HG22      VAL  13  10.575   1.796  -4.233
   97   HG23  VAL  13          HG23      VAL  13  11.777   1.466  -5.482
   98    H    ARG  14           HN       ARG  14  10.511   3.479  -2.077
   99    HA   ARG  14           HA       ARG  14   8.540   2.049  -0.532
  100    HB2  ARG  14           HB2      ARG  14   8.946   4.451  -0.205
  101    HB3  ARG  14           HB1      ARG  14   8.450   4.757  -1.864
  102    HG2  ARG  14           HG2      ARG  14   6.207   3.911  -1.326
  103    HG3  ARG  14           HG1      ARG  14   6.720   3.679   0.349
  104    HD2  ARG  14           HD2      ARG  14   5.588   5.772   0.232
  105    HD3  ARG  14           HD1      ARG  14   7.313   6.092   0.417
  106    HE   ARG  14           HE       ARG  14   6.843   6.119  -2.297
  107   HH11  ARG  14          HH11      ARG  14   5.680   7.883   0.487
  108   HH12  ARG  14          HH12      ARG  14   5.400   9.348  -0.394
  109   HH21  ARG  14          HH21      ARG  14   6.500   8.049  -3.461
  110   HH22  ARG  14          HH22      ARG  14   5.879   9.449  -2.642
  111    H    VAL  15           HN       VAL  15   7.515   0.467  -1.611
  112    HA   VAL  15           HA       VAL  15   6.671   0.939  -4.366
  113    HB   VAL  15           HB       VAL  15   7.755  -1.198  -3.881
  114   HG11  VAL  15          HG11      VAL  15   6.634  -2.917  -2.550
  115   HG12  VAL  15          HG12      VAL  15   5.414  -1.734  -2.074
  116   HG13  VAL  15          HG13      VAL  15   7.093  -1.516  -1.580
  117   HG21  VAL  15          HG21      VAL  15   6.096  -2.670  -4.925
  118   HG22  VAL  15          HG22      VAL  15   6.161  -1.091  -5.707
  119   HG23  VAL  15          HG23      VAL  15   4.843  -1.474  -4.600
  120    H    CYS  16           HN       CYS  16   4.636   1.390  -4.920
  121    HA   CYS  16           HA       CYS  16   2.592   1.249  -2.810
  122    HB2  CYS  16           HB2      CYS  16   2.751   3.073  -5.213
  123    HB3  CYS  16           HB1      CYS  16   1.409   3.022  -4.076
  124    H    HIS  17           HN       HIS  17   0.795   0.122  -3.149
  125    HA   HIS  17           HA       HIS  17   0.131  -0.756  -5.844
  126    HB2  HIS  17           HB2      HIS  17  -0.280  -3.095  -5.008
  127    HB3  HIS  17           HB1      HIS  17   1.404  -2.635  -5.138
  128    HD1  HIS  17           HD1      HIS  17  -1.003  -4.085  -2.849
  129    HD2  HIS  17           HD2      HIS  17   2.581  -2.003  -2.502
  130    HE1  HIS  17           HE1      HIS  17  -0.202  -4.500  -0.505
  131    HE2  HIS  17           HE2      HIS  17   2.066  -3.414  -0.395
  132    H    ARG  18           HN       ARG  18  -2.009  -1.710  -5.958
  133    HA   ARG  18           HA       ARG  18  -3.811  -0.145  -4.296
  134    HB2  ARG  18           HB2      ARG  18  -4.313  -1.830  -6.756
  135    HB3  ARG  18           HB1      ARG  18  -5.534  -0.863  -5.935
  136    HG2  ARG  18           HG2      ARG  18  -4.229   1.160  -6.399
  137    HG3  ARG  18           HG1      ARG  18  -3.032   0.181  -7.246
  138    HD2  ARG  18           HD2      ARG  18  -4.721  -0.494  -8.865
  139    HD3  ARG  18           HD1      ARG  18  -5.935   0.446  -8.000
  140    HE   ARG  18           HE       ARG  18  -3.886   2.197  -8.612
  141   HH11  ARG  18          HH11      ARG  18  -6.166   0.204 -10.349
  142   HH12  ARG  18          HH12      ARG  18  -6.206   1.234 -11.741
  143   HH21  ARG  18          HH21      ARG  18  -3.934   3.564 -10.440
  144   HH22  ARG  18          HH22      ARG  18  -4.936   3.151 -11.792
  145    H    ARG  19           HN       ARG  19  -4.950  -0.932  -2.679
  146    HA   ARG  19           HA       ARG  19  -4.513  -3.507  -1.668
  147    HB2  ARG  19           HB2      ARG  19  -5.913  -2.923   0.108
  148    HB3  ARG  19           HB1      ARG  19  -5.273  -1.385  -0.436
  149    HG2  ARG  19           HG2      ARG  19  -7.949  -2.429  -1.306
  150    HG3  ARG  19           HG1      ARG  19  -7.726  -1.455   0.147
  151    HD2  ARG  19           HD2      ARG  19  -8.306   0.141  -1.414
  152    HD3  ARG  19           HD1      ARG  19  -6.546   0.204  -1.475
  153    HE   ARG  19           HE       ARG  19  -7.475  -1.643  -3.384
  154   HH11  ARG  19          HH11      ARG  19  -7.278   1.790  -2.774
  155   HH12  ARG  19          HH12      ARG  19  -7.450   2.235  -4.437
  156   HH21  ARG  19          HH21      ARG  19  -7.691  -1.070  -5.597
  157   HH22  ARG  19          HH22      ARG  19  -7.686   0.606  -6.053
  158    H    ALA  20           HN       ALA  20  -6.003  -5.228  -1.308
  159    HA   ALA  20           HA       ALA  20  -7.438  -6.841  -1.965
  160    HB1  ALA  20           HB1      ALA  20  -9.141  -5.141  -1.460
  161    HB2  ALA  20           HB2      ALA  20  -9.635  -6.223  -2.762
  162    HB3  ALA  20           HB3      ALA  20  -9.070  -4.594  -3.137
  163    H    ASN  21           HN       ASN  21  -5.783  -7.612  -3.360
  164    HA   ASN  21           HA       ASN  21  -5.124  -8.607  -5.278
  165    HB2  ASN  21           HB2      ASN  21  -7.837  -7.687  -6.199
  166    HB3  ASN  21           HB1      ASN  21  -6.735  -8.556  -7.261
  167   HD21  ASN  21          HD21      ASN  21  -6.317 -10.709  -6.889
  168   HD22  ASN  21          HD22      ASN  21  -7.277 -11.672  -5.820
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1 -16.731   0.957  -1.119
    2    H2   GLY   1           HT2      GLY   1 -17.095   0.233  -2.602
    3    H3   GLY   1           HT3      GLY   1 -16.247   1.694  -2.560
    4    HA2  GLY   1           HA1      GLY   1 -15.261  -0.906  -1.538
    5    HA3  GLY   1           HA2      GLY   1 -14.762  -0.143  -3.040
    6    H    PHE   2           HN       PHE   2 -13.067  -0.885  -0.829
    7    HA   PHE   2           HA       PHE   2 -12.090   1.786  -0.102
    8    HB2  PHE   2           HB2      PHE   2 -11.140   0.535   1.988
    9    HB3  PHE   2           HB1      PHE   2 -12.807   1.089   1.972
   10    HD1  PHE   2           HD1      PHE   2 -14.630  -0.473   2.004
   11    HD2  PHE   2           HD2      PHE   2 -10.611  -1.843   1.748
   12    HE1  PHE   2           HE1      PHE   2 -15.377  -2.762   2.497
   13    HE2  PHE   2           HE2      PHE   2 -11.355  -4.131   2.246
   14    HZ   PHE   2           HZ       PHE   2 -13.767  -4.569   2.691
   15    H    ALA   3           HN       ALA   3 -10.820   1.583  -2.036
   16    HA   ALA   3           HA       ALA   3  -8.629  -0.330  -1.968
   17    HB1  ALA   3           HB1      ALA   3  -8.023   0.532  -4.134
   18    HB2  ALA   3           HB2      ALA   3  -9.133   1.887  -3.950
   19    HB3  ALA   3           HB3      ALA   3  -9.764   0.249  -4.107
   20    H    TRP   4           HN       TRP   4  -7.370   0.273  -0.220
   21    HA   TRP   4           HA       TRP   4  -6.672   3.007   0.274
   22    HB2  TRP   4           HB2      TRP   4  -5.000   0.819   1.395
   23    HB3  TRP   4           HB1      TRP   4  -5.581   2.281   2.160
   24    HD1  TRP   4           HD1      TRP   4  -6.434  -1.361   1.648
   25    HE1  TRP   4           HE1      TRP   4  -8.472  -1.950   3.087
   26    HE3  TRP   4           HE3      TRP   4  -7.759   3.337   3.065
   27    HZ2  TRP   4           HZ2      TRP   4 -10.422  -0.576   4.632
   28    HZ3  TRP   4           HZ3      TRP   4  -9.728   3.636   4.522
   29    HH2  TRP   4           HH2      TRP   4 -11.031   1.716   5.288
   30    H    ASN   5           HN       ASN   5  -5.070   4.148  -0.661
   31    HA   ASN   5           HA       ASN   5  -3.039   2.812  -2.205
   32    HB2  ASN   5           HB2      ASN   5  -2.043   5.105  -2.442
   33    HB3  ASN   5           HB1      ASN   5  -3.704   4.982  -3.003
   34   HD21  ASN   5          HD21      ASN   5  -5.346   5.991  -1.826
   35   HD22  ASN   5          HD22      ASN   5  -5.006   7.227  -0.662
   36    H    VAL   6           HN       VAL   6  -1.753   1.567  -1.049
   37    HA   VAL   6           HA       VAL   6  -0.631   2.651   1.431
   38    HB   VAL   6           HB       VAL   6  -2.022   0.928   2.168
   39   HG11  VAL   6          HG11      VAL   6  -1.027  -0.836  -0.053
   40   HG12  VAL   6          HG12      VAL   6  -2.589  -0.016  -0.001
   41   HG13  VAL   6          HG13      VAL   6  -2.214  -1.273   1.178
   42   HG21  VAL   6          HG21      VAL   6  -0.553  -0.864   2.949
   43   HG22  VAL   6          HG22      VAL   6   0.193   0.722   3.128
   44   HG23  VAL   6          HG23      VAL   6   0.686  -0.338   1.808
   45    H    CYS   7           HN       CYS   7   1.381   3.121   1.241
   46    HA   CYS   7           HA       CYS   7   3.076   1.682  -0.670
   47    HB2  CYS   7           HB2      CYS   7   3.694   4.247   0.810
   48    HB3  CYS   7           HB1      CYS   7   4.555   3.582  -0.575
   49    H    VAL   8           HN       VAL   8   4.923   0.618  -0.033
   50    HA   VAL   8           HA       VAL   8   5.597   0.720   2.833
   51    HB   VAL   8           HB       VAL   8   6.181  -1.726   2.718
   52   HG11  VAL   8          HG11      VAL   8   3.285  -0.988   2.353
   53   HG12  VAL   8          HG12      VAL   8   4.189  -0.976   3.865
   54   HG13  VAL   8          HG13      VAL   8   3.874  -2.501   3.039
   55   HG21  VAL   8          HG21      VAL   8   5.109  -3.094   1.006
   56   HG22  VAL   8          HG22      VAL   8   6.250  -1.957   0.288
   57   HG23  VAL   8          HG23      VAL   8   4.516  -1.640   0.205
   58    H    TYR   9           HN       TYR   9   7.804   0.124   3.301
   59    HA   TYR   9           HA       TYR   9   9.579   0.837   1.095
   60    HB2  TYR   9           HB2      TYR   9  10.122   0.669   4.065
   61    HB3  TYR   9           HB1      TYR   9  11.234   1.264   2.845
   62    HD1  TYR   9           HD1      TYR   9  10.438   3.295   1.446
   63    HD2  TYR   9           HD2      TYR   9   8.700   2.151   5.158
   64    HE1  TYR   9           HE1      TYR   9   9.533   5.563   1.715
   65    HE2  TYR   9           HE2      TYR   9   7.789   4.418   5.435
   66    HH   TYR   9           HH       TYR   9   8.407   6.765   4.584
   67    H    ARG  10           HN       ARG  10  10.008  -0.955  -0.029
   68    HA   ARG  10           HA       ARG  10  10.669  -3.417   1.435
   69    HB2  ARG  10           HB2      ARG  10   8.826  -3.583  -0.170
   70    HB3  ARG  10           HB1      ARG  10   9.873  -2.992  -1.451
   71    HG2  ARG  10           HG2      ARG  10  11.265  -4.983  -1.244
   72    HG3  ARG  10           HG1      ARG  10  10.230  -5.576   0.055
   73    HD2  ARG  10           HD2      ARG  10   8.352  -5.722  -1.444
   74    HD3  ARG  10           HD1      ARG  10   9.281  -4.970  -2.738
   75    HE   ARG  10           HE       ARG  10  10.777  -7.072  -2.338
   76   HH11  ARG  10          HH11      ARG  10   7.283  -6.938  -2.270
   77   HH12  ARG  10          HH12      ARG  10   7.085  -8.551  -2.871
   78   HH21  ARG  10          HH21      ARG  10  10.522  -9.182  -3.150
   79   HH22  ARG  10          HH22      ARG  10   8.928  -9.830  -3.370
   80    H    ASN  11           HN       ASN  11  12.796  -3.283   1.877
   81    HA   ASN  11           HA       ASN  11  15.044  -3.340   1.573
   82    HB2  ASN  11           HB2      ASN  11  14.317  -3.845  -1.322
   83    HB3  ASN  11           HB1      ASN  11  15.942  -3.981  -0.661
   84   HD21  ASN  11          HD21      ASN  11  16.437  -5.690   0.707
   85   HD22  ASN  11          HD22      ASN  11  15.432  -7.092   0.820
   86    H    GLY  12           HN       GLY  12  13.572  -0.845   1.426
   87    HA2  GLY  12           HA2      GLY  12  14.682   1.258   1.497
   88    HA3  GLY  12           HA1      GLY  12  15.742   0.709   0.210
   89    H    VAL  13           HN       VAL  13  13.081  -0.318  -1.119
   90    HA   VAL  13           HA       VAL  13  12.654   2.256  -2.438
   91    HB   VAL  13           HB       VAL  13  13.317   0.372  -3.874
   92   HG11  VAL  13          HG11      VAL  13  10.635  -0.786  -3.149
   93   HG12  VAL  13          HG12      VAL  13  12.214  -1.462  -2.742
   94   HG13  VAL  13          HG13      VAL  13  11.696  -1.383  -4.426
   95   HG21  VAL  13          HG21      VAL  13  11.639   0.735  -5.620
   96   HG22  VAL  13          HG22      VAL  13  12.110   2.238  -4.829
   97   HG23  VAL  13          HG23      VAL  13  10.574   1.472  -4.427
   98    H    ARG  14           HN       ARG  14  10.789   3.267  -2.531
   99    HA   ARG  14           HA       ARG  14   8.678   2.413  -0.732
  100    HB2  ARG  14           HB2      ARG  14   9.409   4.724  -0.638
  101    HB3  ARG  14           HB1      ARG  14   9.101   4.927  -2.354
  102    HG2  ARG  14           HG2      ARG  14   6.677   4.483  -1.875
  103    HG3  ARG  14           HG1      ARG  14   7.082   4.559  -0.158
  104    HD2  ARG  14           HD2      ARG  14   7.656   6.755  -2.137
  105    HD3  ARG  14           HD1      ARG  14   6.225   6.699  -1.109
  106    HE   ARG  14           HE       ARG  14   7.669   6.940   0.804
  107   HH11  ARG  14          HH11      ARG  14   9.170   7.536  -2.306
  108   HH12  ARG  14          HH12      ARG  14  10.431   8.526  -1.650
  109   HH21  ARG  14          HH21      ARG  14   9.349   8.227   1.674
  110   HH22  ARG  14          HH22      ARG  14  10.538   8.916   0.617
  111    H    VAL  15           HN       VAL  15   7.469   0.830  -1.650
  112    HA   VAL  15           HA       VAL  15   6.550   1.235  -4.403
  113    HB   VAL  15           HB       VAL  15   7.610  -0.912  -3.987
  114   HG11  VAL  15          HG11      VAL  15   5.424  -1.414  -1.986
  115   HG12  VAL  15          HG12      VAL  15   7.132  -1.164  -1.623
  116   HG13  VAL  15          HG13      VAL  15   6.622  -2.590  -2.527
  117   HG21  VAL  15          HG21      VAL  15   5.882  -0.838  -5.672
  118   HG22  VAL  15          HG22      VAL  15   4.643  -1.137  -4.454
  119   HG23  VAL  15          HG23      VAL  15   5.826  -2.387  -4.832
  120    H    CYS  16           HN       CYS  16   4.550   1.843  -4.818
  121    HA   CYS  16           HA       CYS  16   2.619   1.846  -2.601
  122    HB2  CYS  16           HB2      CYS  16   2.796   3.625  -5.036
  123    HB3  CYS  16           HB1      CYS  16   1.503   3.689  -3.844
  124    H    HIS  17           HN       HIS  17   0.673   0.924  -2.821
  125    HA   HIS  17           HA       HIS  17  -0.259   0.039  -5.422
  126    HB2  HIS  17           HB2      HIS  17  -0.688  -2.285  -4.537
  127    HB3  HIS  17           HB1      HIS  17   0.994  -1.902  -4.846
  128    HD1  HIS  17           HD1      HIS  17  -1.367  -2.842  -2.151
  129    HD2  HIS  17           HD2      HIS  17   2.602  -1.661  -2.503
  130    HE1  HIS  17           HE1      HIS  17  -0.337  -3.253   0.102
  131    HE2  HIS  17           HE2      HIS  17   2.112  -2.781  -0.224
  132    H    ARG  18           HN       ARG  18  -2.446  -0.807  -5.325
  133    HA   ARG  18           HA       ARG  18  -3.970   0.614  -3.256
  134    HB2  ARG  18           HB2      ARG  18  -4.622  -0.229  -6.064
  135    HB3  ARG  18           HB1      ARG  18  -5.911   0.107  -4.919
  136    HG2  ARG  18           HG2      ARG  18  -5.518   2.062  -6.235
  137    HG3  ARG  18           HG1      ARG  18  -4.971   2.375  -4.590
  138    HD2  ARG  18           HD2      ARG  18  -3.381   3.262  -6.186
  139    HD3  ARG  18           HD1      ARG  18  -2.661   1.930  -5.287
  140    HE   ARG  18           HE       ARG  18  -3.793   0.962  -7.686
  141   HH11  ARG  18          HH11      ARG  18  -1.097   2.859  -6.521
  142   HH12  ARG  18          HH12      ARG  18  -0.060   2.447  -7.850
  143   HH21  ARG  18          HH21      ARG  18  -2.432   0.407  -9.444
  144   HH22  ARG  18          HH22      ARG  18  -0.828   1.063  -9.523
  145    H    ARG  19           HN       ARG  19  -4.190  -0.737  -1.584
  146    HA   ARG  19           HA       ARG  19  -4.603  -3.557  -1.901
  147    HB2  ARG  19           HB2      ARG  19  -3.404  -2.698   0.037
  148    HB3  ARG  19           HB1      ARG  19  -4.811  -1.769   0.527
  149    HG2  ARG  19           HG2      ARG  19  -6.047  -3.874   0.871
  150    HG3  ARG  19           HG1      ARG  19  -4.586  -4.770   0.451
  151    HD2  ARG  19           HD2      ARG  19  -3.409  -3.756   2.322
  152    HD3  ARG  19           HD1      ARG  19  -4.837  -2.808   2.725
  153    HE   ARG  19           HE       ARG  19  -5.521  -5.535   2.716
  154   HH11  ARG  19          HH11      ARG  19  -3.637  -3.234   4.553
  155   HH12  ARG  19          HH12      ARG  19  -3.815  -4.088   6.052
  156   HH21  ARG  19          HH21      ARG  19  -5.759  -6.670   4.696
  157   HH22  ARG  19          HH22      ARG  19  -5.018  -6.042   6.132
  158    H    ALA  20           HN       ALA  20  -6.450  -4.683  -1.864
  159    HA   ALA  20           HA       ALA  20  -8.652  -5.177  -1.997
  160    HB1  ALA  20           HB1      ALA  20  -9.006  -2.780  -0.201
  161    HB2  ALA  20           HB2      ALA  20  -8.708  -4.435   0.328
  162    HB3  ALA  20           HB3      ALA  20 -10.209  -4.034  -0.506
  163    H    ASN  21           HN       ASN  21  -7.527  -3.671  -4.068
  164    HA   ASN  21           HA       ASN  21  -9.233  -1.518  -4.823
  165    HB2  ASN  21           HB2      ASN  21  -8.118  -1.633  -7.011
  166    HB3  ASN  21           HB1      ASN  21  -6.951  -1.649  -5.697
  167   HD21  ASN  21          HD21      ASN  21  -5.753  -3.498  -5.306
  168   HD22  ASN  21          HD22      ASN  21  -5.671  -4.805  -6.440
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1 -15.040  -2.729  -1.566
    2    H2   GLY   1           HT2      GLY   1 -16.123  -2.006  -0.490
    3    H3   GLY   1           HT3      GLY   1 -15.789  -3.656  -0.369
    4    HA2  GLY   1           HA1      GLY   1 -14.640  -2.436   1.353
    5    HA3  GLY   1           HA2      GLY   1 -13.511  -3.191   0.236
    6    H    PHE   2           HN       PHE   2 -12.144  -1.475   1.311
    7    HA   PHE   2           HA       PHE   2 -12.448   1.085  -0.120
    8    HB2  PHE   2           HB2      PHE   2 -10.985   0.484   2.461
    9    HB3  PHE   2           HB1      PHE   2 -11.012   2.050   1.659
   10    HD1  PHE   2           HD1      PHE   2 -13.300   3.152   1.313
   11    HD2  PHE   2           HD2      PHE   2 -12.629  -0.076   4.004
   12    HE1  PHE   2           HE1      PHE   2 -15.348   3.751   2.535
   13    HE2  PHE   2           HE2      PHE   2 -14.681   0.517   5.227
   14    HZ   PHE   2           HZ       PHE   2 -16.042   2.431   4.493
   15    H    ALA   3           HN       ALA   3 -10.932   1.666  -1.529
   16    HA   ALA   3           HA       ALA   3  -8.589  -0.078  -1.804
   17    HB1  ALA   3           HB1      ALA   3  -8.408   0.815  -4.079
   18    HB2  ALA   3           HB2      ALA   3  -9.825   1.826  -3.786
   19    HB3  ALA   3           HB3      ALA   3  -9.981   0.068  -3.788
   20    H    TRP   4           HN       TRP   4  -7.334   0.909  -0.196
   21    HA   TRP   4           HA       TRP   4  -6.492   3.651  -0.747
   22    HB2  TRP   4           HB2      TRP   4  -4.964   2.769   1.387
   23    HB3  TRP   4           HB1      TRP   4  -6.414   3.757   1.487
   24    HD1  TRP   4           HD1      TRP   4  -5.661  -0.063   1.342
   25    HE1  TRP   4           HE1      TRP   4  -7.219  -1.221   3.026
   26    HE3  TRP   4           HE3      TRP   4  -8.218   4.020   2.981
   27    HZ2  TRP   4           HZ2      TRP   4  -9.273  -0.490   4.822
   28    HZ3  TRP   4           HZ3      TRP   4  -9.967   3.717   4.689
   29    HH2  TRP   4           HH2      TRP   4 -10.483   1.506   5.586
   30    H    ASN   5           HN       ASN   5  -4.564   4.151  -1.585
   31    HA   ASN   5           HA       ASN   5  -2.888   2.072  -2.634
   32    HB2  ASN   5           HB2      ASN   5  -3.208   4.229  -3.809
   33    HB3  ASN   5           HB1      ASN   5  -2.367   5.044  -2.497
   34   HD21  ASN   5          HD21      ASN   5  -0.759   5.805  -3.846
   35   HD22  ASN   5          HD22      ASN   5   0.457   4.774  -4.515
   36    H    VAL   6           HN       VAL   6  -1.710   0.953  -1.328
   37    HA   VAL   6           HA       VAL   6  -0.726   2.084   1.167
   38    HB   VAL   6           HB       VAL   6  -0.639  -0.788   0.226
   39   HG11  VAL   6          HG11      VAL   6  -0.298  -1.311   2.591
   40   HG12  VAL   6          HG12      VAL   6  -0.285   0.412   2.969
   41   HG13  VAL   6          HG13      VAL   6   0.986  -0.279   1.962
   42   HG21  VAL   6          HG21      VAL   6  -2.577  -1.147   1.705
   43   HG22  VAL   6          HG22      VAL   6  -2.944  -0.064   0.361
   44   HG23  VAL   6          HG23      VAL   6  -2.669   0.594   1.975
   45    H    CYS   7           HN       CYS   7   1.115   3.148   0.840
   46    HA   CYS   7           HA       CYS   7   3.225   1.937  -0.767
   47    HB2  CYS   7           HB2      CYS   7   3.216   4.585   0.684
   48    HB3  CYS   7           HB1      CYS   7   4.400   4.043  -0.496
   49    H    VAL   8           HN       VAL   8   4.920   0.910   0.077
   50    HA   VAL   8           HA       VAL   8   5.459   1.165   2.954
   51    HB   VAL   8           HB       VAL   8   5.811  -1.309   3.097
   52   HG11  VAL   8          HG11      VAL   8   3.434  -1.872   3.322
   53   HG12  VAL   8          HG12      VAL   8   3.012  -0.398   2.453
   54   HG13  VAL   8          HG13      VAL   8   3.813  -0.298   4.019
   55   HG21  VAL   8          HG21      VAL   8   4.730  -2.747   1.434
   56   HG22  VAL   8          HG22      VAL   8   6.031  -1.791   0.721
   57   HG23  VAL   8          HG23      VAL   8   4.348  -1.328   0.458
   58    H    TYR   9           HN       TYR   9   7.578   0.272   3.542
   59    HA   TYR   9           HA       TYR   9   9.461   0.855   1.395
   60    HB2  TYR   9           HB2      TYR   9   9.760   0.765   4.395
   61    HB3  TYR   9           HB1      TYR   9  11.118   0.977   3.297
   62    HD1  TYR   9           HD1      TYR   9  11.632   3.104   2.420
   63    HD2  TYR   9           HD2      TYR   9   7.880   2.473   4.318
   64    HE1  TYR   9           HE1      TYR   9  11.176   5.517   2.310
   65    HE2  TYR   9           HE2      TYR   9   7.416   4.881   4.220
   66    HH   TYR   9           HH       TYR   9   9.423   7.060   2.399
   67    H    ARG  10           HN       ARG  10  10.017  -0.817   0.256
   68    HA   ARG  10           HA       ARG  10  10.944  -3.238   1.630
   69    HB2  ARG  10           HB2      ARG  10   8.671  -3.693   0.823
   70    HB3  ARG  10           HB1      ARG  10   9.147  -3.204  -0.800
   71    HG2  ARG  10           HG2      ARG  10  10.558  -5.070  -1.058
   72    HG3  ARG  10           HG1      ARG  10  10.490  -5.454   0.663
   73    HD2  ARG  10           HD2      ARG  10   8.128  -5.534  -1.195
   74    HD3  ARG  10           HD1      ARG  10   9.101  -6.937  -0.765
   75    HE   ARG  10           HE       ARG  10   8.051  -5.516   1.504
   76   HH11  ARG  10          HH11      ARG  10   7.366  -7.965  -0.900
   77   HH12  ARG  10          HH12      ARG  10   6.231  -8.813   0.102
   78   HH21  ARG  10          HH21      ARG  10   6.532  -6.617   2.816
   79   HH22  ARG  10          HH22      ARG  10   5.749  -8.039   2.205
   80    H    ASN  11           HN       ASN  11  12.925  -3.732   1.006
   81    HA   ASN  11           HA       ASN  11  14.871  -3.813  -0.138
   82    HB2  ASN  11           HB2      ASN  11  13.040  -3.353  -2.492
   83    HB3  ASN  11           HB1      ASN  11  14.779  -3.549  -2.671
   84   HD21  ASN  11          HD21      ASN  11  15.068  -5.487  -0.578
   85   HD22  ASN  11          HD22      ASN  11  14.377  -6.959  -1.157
   86    H    GLY  12           HN       GLY  12  13.837  -1.354   1.039
   87    HA2  GLY  12           HA2      GLY  12  14.904   0.658   1.423
   88    HA3  GLY  12           HA1      GLY  12  15.964   0.318   0.067
   89    H    VAL  13           HN       VAL  13  12.591   0.123  -0.585
   90    HA   VAL  13           HA       VAL  13  12.568   2.884  -1.573
   91    HB   VAL  13           HB       VAL  13  13.211   1.315  -3.421
   92   HG11  VAL  13          HG11      VAL  13  11.448  -0.058  -4.437
   93   HG12  VAL  13          HG12      VAL  13  10.403   0.304  -3.065
   94   HG13  VAL  13          HG13      VAL  13  11.893  -0.608  -2.824
   95   HG21  VAL  13          HG21      VAL  13  11.698   2.288  -5.073
   96   HG22  VAL  13          HG22      VAL  13  12.227   3.488  -3.894
   97   HG23  VAL  13          HG23      VAL  13  10.613   2.792  -3.778
   98    H    ARG  14           HN       ARG  14  10.535   3.807  -1.791
   99    HA   ARG  14           HA       ARG  14   8.474   2.620  -0.124
  100    HB2  ARG  14           HB2      ARG  14   9.096   5.004   0.126
  101    HB3  ARG  14           HB1      ARG  14   8.588   5.301  -1.526
  102    HG2  ARG  14           HG2      ARG  14   6.296   4.777  -0.954
  103    HG3  ARG  14           HG1      ARG  14   6.782   4.375   0.696
  104    HD2  ARG  14           HD2      ARG  14   7.532   6.667   1.046
  105    HD3  ARG  14           HD1      ARG  14   7.106   7.074  -0.612
  106    HE   ARG  14           HE       ARG  14   4.797   6.832  -0.037
  107   HH11  ARG  14          HH11      ARG  14   7.003   6.776   2.691
  108   HH12  ARG  14          HH12      ARG  14   5.777   7.180   3.849
  109   HH21  ARG  14          HH21      ARG  14   3.192   7.389   1.486
  110   HH22  ARG  14          HH22      ARG  14   3.613   7.539   3.165
  111    H    VAL  15           HN       VAL  15   7.697   0.934  -1.361
  112    HA   VAL  15           HA       VAL  15   6.812   1.421  -4.091
  113    HB   VAL  15           HB       VAL  15   7.996  -0.667  -3.557
  114   HG11  VAL  15          HG11      VAL  15   5.603  -1.320  -1.858
  115   HG12  VAL  15          HG12      VAL  15   7.247  -1.025  -1.289
  116   HG13  VAL  15          HG13      VAL  15   6.896  -2.442  -2.280
  117   HG21  VAL  15          HG21      VAL  15   5.135  -1.104  -4.392
  118   HG22  VAL  15          HG22      VAL  15   6.477  -2.212  -4.685
  119   HG23  VAL  15          HG23      VAL  15   6.462  -0.623  -5.447
  120    H    CYS  16           HN       CYS  16   4.701   1.519  -4.750
  121    HA   CYS  16           HA       CYS  16   2.713   1.591  -2.581
  122    HB2  CYS  16           HB2      CYS  16   2.762   3.189  -5.145
  123    HB3  CYS  16           HB1      CYS  16   1.501   3.260  -3.921
  124    H    HIS  17           HN       HIS  17   0.878   0.480  -2.772
  125    HA   HIS  17           HA       HIS  17   0.004  -0.543  -5.333
  126    HB2  HIS  17           HB2      HIS  17  -0.284  -2.879  -4.222
  127    HB3  HIS  17           HB1      HIS  17   1.262  -2.435  -4.917
  128    HD1  HIS  17           HD1      HIS  17  -0.449  -2.813  -1.574
  129    HD2  HIS  17           HD2      HIS  17   3.380  -2.476  -3.152
  130    HE1  HIS  17           HE1      HIS  17   1.113  -3.266   0.342
  131    HE2  HIS  17           HE2      HIS  17   3.402  -3.298  -0.699
  132    H    ARG  18           HN       ARG  18  -2.141  -1.095  -5.373
  133    HA   ARG  18           HA       ARG  18  -3.648   0.295  -3.317
  134    HB2  ARG  18           HB2      ARG  18  -4.381  -0.795  -6.023
  135    HB3  ARG  18           HB1      ARG  18  -5.607  -0.233  -4.898
  136    HG2  ARG  18           HG2      ARG  18  -5.145   1.540  -6.403
  137    HG3  ARG  18           HG1      ARG  18  -4.439   1.974  -4.849
  138    HD2  ARG  18           HD2      ARG  18  -2.241   1.214  -5.669
  139    HD3  ARG  18           HD1      ARG  18  -2.969   0.855  -7.233
  140    HE   ARG  18           HE       ARG  18  -3.566   3.495  -6.700
  141   HH11  ARG  18          HH11      ARG  18  -0.689   1.559  -7.146
  142   HH12  ARG  18          HH12      ARG  18   0.262   2.873  -7.753
  143   HH21  ARG  18          HH21      ARG  18  -2.315   5.235  -7.507
  144   HH22  ARG  18          HH22      ARG  18  -0.661   4.968  -7.955
  145    H    ARG  19           HN       ARG  19  -4.445  -0.696  -1.632
  146    HA   ARG  19           HA       ARG  19  -4.858  -3.581  -1.709
  147    HB2  ARG  19           HB2      ARG  19  -3.597  -2.630   0.160
  148    HB3  ARG  19           HB1      ARG  19  -4.974  -1.634   0.592
  149    HG2  ARG  19           HG2      ARG  19  -6.280  -3.659   1.043
  150    HG3  ARG  19           HG1      ARG  19  -4.862  -4.636   0.659
  151    HD2  ARG  19           HD2      ARG  19  -3.634  -3.497   2.477
  152    HD3  ARG  19           HD1      ARG  19  -5.108  -2.622   2.886
  153    HE   ARG  19           HE       ARG  19  -5.456  -5.470   2.857
  154   HH11  ARG  19          HH11      ARG  19  -4.427  -2.746   4.803
  155   HH12  ARG  19          HH12      ARG  19  -4.726  -3.552   6.310
  156   HH21  ARG  19          HH21      ARG  19  -5.871  -6.517   4.829
  157   HH22  ARG  19          HH22      ARG  19  -5.550  -5.700   6.325
  158    H    ALA  20           HN       ALA  20  -6.807  -4.448  -1.907
  159    HA   ALA  20           HA       ALA  20  -9.143  -2.691  -1.854
  160    HB1  ALA  20           HB1      ALA  20  -8.900  -5.532  -2.847
  161    HB2  ALA  20           HB2      ALA  20  -8.791  -4.086  -3.849
  162    HB3  ALA  20           HB3      ALA  20 -10.302  -4.477  -3.031
  163    H    ASN  21           HN       ASN  21  -9.035  -2.570   0.481
  164    HA   ASN  21           HA       ASN  21  -9.495  -4.989   2.004
  165    HB2  ASN  21           HB2      ASN  21  -8.064  -3.191   2.905
  166    HB3  ASN  21           HB1      ASN  21  -9.440  -2.096   2.894
  167   HD21  ASN  21          HD21      ASN  21 -11.073  -2.362   4.402
  168   HD22  ASN  21          HD22      ASN  21 -10.862  -3.322   5.825
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1 -15.038   2.825  -3.847
    2    H2   GLY   1           HT2      GLY   1 -13.613   1.921  -3.906
    3    H3   GLY   1           HT3      GLY   1 -13.723   3.256  -2.875
    4    HA2  GLY   1           HA1      GLY   1 -15.421   2.148  -1.569
    5    HA3  GLY   1           HA2      GLY   1 -15.316   0.766  -2.648
    6    H    PHE   2           HN       PHE   2 -13.456   2.737  -0.389
    7    HA   PHE   2           HA       PHE   2 -11.825   2.258   1.098
    8    HB2  PHE   2           HB2      PHE   2 -12.900  -0.554   0.841
    9    HB3  PHE   2           HB1      PHE   2 -11.777  -0.014   2.087
   10    HD1  PHE   2           HD1      PHE   2 -12.559   1.920   3.590
   11    HD2  PHE   2           HD2      PHE   2 -15.178  -0.416   1.189
   12    HE1  PHE   2           HE1      PHE   2 -14.453   2.597   5.006
   13    HE2  PHE   2           HE2      PHE   2 -17.078   0.258   2.596
   14    HZ   PHE   2           HZ       PHE   2 -16.717   1.768   4.508
   15    H    ALA   3           HN       ALA   3 -11.067   2.341  -1.610
   16    HA   ALA   3           HA       ALA   3  -9.016   0.282  -1.874
   17    HB1  ALA   3           HB1      ALA   3  -8.592   1.241  -4.072
   18    HB2  ALA   3           HB2      ALA   3  -9.725   2.550  -3.734
   19    HB3  ALA   3           HB3      ALA   3 -10.310   0.892  -3.870
   20    H    TRP   4           HN       TRP   4  -7.430   0.724  -0.420
   21    HA   TRP   4           HA       TRP   4  -6.592   3.469   0.003
   22    HB2  TRP   4           HB2      TRP   4  -5.196   1.147   1.249
   23    HB3  TRP   4           HB1      TRP   4  -5.476   2.747   1.898
   24    HD1  TRP   4           HD1      TRP   4  -6.787  -0.718   2.013
   25    HE1  TRP   4           HE1      TRP   4  -8.941  -0.793   3.401
   26    HE3  TRP   4           HE3      TRP   4  -7.657   4.268   2.332
   27    HZ2  TRP   4           HZ2      TRP   4 -10.797   1.061   4.496
   28    HZ3  TRP   4           HZ3      TRP   4  -9.642   5.062   3.566
   29    HH2  TRP   4           HH2      TRP   4 -11.177   3.486   4.625
   30    H    ASN   5           HN       ASN   5  -4.933   4.384  -0.991
   31    HA   ASN   5           HA       ASN   5  -2.941   2.791  -2.360
   32    HB2  ASN   5           HB2      ASN   5  -3.141   5.773  -1.841
   33    HB3  ASN   5           HB1      ASN   5  -1.814   5.024  -2.722
   34   HD21  ASN   5          HD21      ASN   5  -2.256   6.149  -4.593
   35   HD22  ASN   5          HD22      ASN   5  -3.632   5.807  -5.578
   36    H    VAL   6           HN       VAL   6  -1.774   1.630  -0.948
   37    HA   VAL   6           HA       VAL   6  -0.629   3.030   1.352
   38    HB   VAL   6           HB       VAL   6  -2.202   1.627   2.361
   39   HG11  VAL   6          HG11      VAL   6  -2.591  -0.713   1.788
   40   HG12  VAL   6          HG12      VAL   6  -1.385  -0.598   0.503
   41   HG13  VAL   6          HG13      VAL   6  -2.869   0.351   0.408
   42   HG21  VAL   6          HG21      VAL   6  -0.029   1.378   3.403
   43   HG22  VAL   6          HG22      VAL   6   0.368   0.053   2.309
   44   HG23  VAL   6          HG23      VAL   6  -0.926  -0.138   3.491
   45    H    CYS   7           HN       CYS   7   1.456   3.068   1.381
   46    HA   CYS   7           HA       CYS   7   2.908   1.433  -0.569
   47    HB2  CYS   7           HB2      CYS   7   3.835   3.972   0.776
   48    HB3  CYS   7           HB1      CYS   7   4.564   3.177  -0.615
   49    H    VAL   8           HN       VAL   8   4.609   0.200  -0.027
   50    HA   VAL   8           HA       VAL   8   5.388   0.114   2.814
   51    HB   VAL   8           HB       VAL   8   6.011  -2.279   2.415
   52   HG11  VAL   8          HG11      VAL   8   3.960  -1.698   3.567
   53   HG12  VAL   8          HG12      VAL   8   3.720  -3.132   2.567
   54   HG13  VAL   8          HG13      VAL   8   3.111  -1.567   2.028
   55   HG21  VAL   8          HG21      VAL   8   4.992  -3.441   0.499
   56   HG22  VAL   8          HG22      VAL   8   6.187  -2.245  -0.009
   57   HG23  VAL   8          HG23      VAL   8   4.465  -1.887  -0.148
   58    H    TYR   9           HN       TYR   9   7.611  -0.485   3.211
   59    HA   TYR   9           HA       TYR   9   9.355   0.552   1.113
   60    HB2  TYR   9           HB2      TYR   9   9.736   0.236   4.090
   61    HB3  TYR   9           HB1      TYR   9  11.024   0.722   2.996
   62    HD1  TYR   9           HD1      TYR   9  10.553   2.815   1.517
   63    HD2  TYR   9           HD2      TYR   9   8.353   1.840   5.023
   64    HE1  TYR   9           HE1      TYR   9   9.820   5.156   1.702
   65    HE2  TYR   9           HE2      TYR   9   7.614   4.174   5.219
   66    HH   TYR   9           HH       TYR   9   7.953   6.427   2.719
   67    H    ARG  10           HN       ARG  10  10.142  -0.941  -0.158
   68    HA   ARG  10           HA       ARG  10  11.118  -3.447   1.044
   69    HB2  ARG  10           HB2      ARG  10   9.269  -3.842  -0.507
   70    HB3  ARG  10           HB1      ARG  10  10.101  -2.935  -1.761
   71    HG2  ARG  10           HG2      ARG  10  10.339  -5.273  -2.203
   72    HG3  ARG  10           HG1      ARG  10  11.906  -4.623  -1.725
   73    HD2  ARG  10           HD2      ARG  10  11.429  -5.440   0.599
   74    HD3  ARG  10           HD1      ARG  10  10.010  -6.258  -0.052
   75    HE   ARG  10           HE       ARG  10  12.664  -6.825  -1.172
   76   HH11  ARG  10          HH11      ARG  10   9.825  -7.914   0.581
   77   HH12  ARG  10          HH12      ARG  10  10.251  -9.591   0.471
   78   HH21  ARG  10          HH21      ARG  10  13.210  -9.025  -1.321
   79   HH22  ARG  10          HH22      ARG  10  12.176 -10.222  -0.613
   80    H    ASN  11           HN       ASN  11  13.238  -3.328   1.275
   81    HA   ASN  11           HA       ASN  11  15.446  -3.009   0.881
   82    HB2  ASN  11           HB2      ASN  11  14.579  -2.834  -2.012
   83    HB3  ASN  11           HB1      ASN  11  16.248  -2.952  -1.470
   84   HD21  ASN  11          HD21      ASN  11  16.983  -4.888  -0.586
   85   HD22  ASN  11          HD22      ASN  11  16.133  -6.378  -0.822
   86    H    GLY  12           HN       GLY  12  13.719  -0.779   1.483
   87    HA2  GLY  12           HA2      GLY  12  14.220   1.458   1.901
   88    HA3  GLY  12           HA1      GLY  12  15.552   1.345   0.760
   89    H    VAL  13           HN       VAL  13  13.070   0.041  -0.857
   90    HA   VAL  13           HA       VAL  13  12.563   2.565  -2.251
   91    HB   VAL  13           HB       VAL  13  11.877  -0.229  -3.174
   92   HG11  VAL  13          HG11      VAL  13  12.108   2.379  -4.667
   93   HG12  VAL  13          HG12      VAL  13  10.614   1.520  -4.287
   94   HG13  VAL  13          HG13      VAL  13  11.784   0.807  -5.398
   95   HG21  VAL  13          HG21      VAL  13  14.284  -0.063  -2.832
   96   HG22  VAL  13          HG22      VAL  13  14.331   1.410  -3.802
   97   HG23  VAL  13          HG23      VAL  13  13.902  -0.125  -4.553
   98    H    ARG  14           HN       ARG  14  10.623   3.480  -2.329
   99    HA   ARG  14           HA       ARG  14   8.532   2.514  -0.620
  100    HB2  ARG  14           HB2      ARG  14   9.130   4.892  -0.763
  101    HB3  ARG  14           HB1      ARG  14   8.684   4.906  -2.461
  102    HG2  ARG  14           HG2      ARG  14   6.380   4.535  -1.917
  103    HG3  ARG  14           HG1      ARG  14   6.779   4.317  -0.209
  104    HD2  ARG  14           HD2      ARG  14   5.936   6.544  -0.524
  105    HD3  ARG  14           HD1      ARG  14   7.661   6.618  -0.170
  106    HE   ARG  14           HE       ARG  14   7.300   6.583  -2.955
  107   HH11  ARG  14          HH11      ARG  14   6.872   8.688  -0.192
  108   HH12  ARG  14          HH12      ARG  14   6.994  10.147  -1.124
  109   HH21  ARG  14          HH21      ARG  14   7.478   8.511  -4.185
  110   HH22  ARG  14          HH22      ARG  14   7.332  10.047  -3.389
  111    H    VAL  15           HN       VAL  15   7.549   0.732  -1.450
  112    HA   VAL  15           HA       VAL  15   6.655   0.726  -4.238
  113    HB   VAL  15           HB       VAL  15   6.127  -1.448  -2.231
  114   HG11  VAL  15          HG11      VAL  15   6.479  -1.466  -5.227
  115   HG12  VAL  15          HG12      VAL  15   4.948  -1.585  -4.359
  116   HG13  VAL  15          HG13      VAL  15   6.143  -2.875  -4.223
  117   HG21  VAL  15          HG21      VAL  15   8.469  -0.976  -2.098
  118   HG22  VAL  15          HG22      VAL  15   8.612  -1.034  -3.852
  119   HG23  VAL  15          HG23      VAL  15   8.217  -2.497  -2.951
  120    H    CYS  16           HN       CYS  16   4.721   1.563  -4.669
  121    HA   CYS  16           HA       CYS  16   2.803   1.553  -2.491
  122    HB2  CYS  16           HB2      CYS  16   2.876   3.239  -4.997
  123    HB3  CYS  16           HB1      CYS  16   1.592   3.308  -3.796
  124    H    HIS  17           HN       HIS  17   0.846   0.600  -2.656
  125    HA   HIS  17           HA       HIS  17   0.128  -0.688  -5.178
  126    HB2  HIS  17           HB2      HIS  17  -0.387  -2.814  -3.950
  127    HB3  HIS  17           HB1      HIS  17   1.322  -2.446  -4.080
  128    HD1  HIS  17           HD1      HIS  17  -1.466  -2.710  -1.610
  129    HD2  HIS  17           HD2      HIS  17   2.624  -1.982  -1.634
  130    HE1  HIS  17           HE1      HIS  17  -0.756  -2.788   0.794
  131    HE2  HIS  17           HE2      HIS  17   1.745  -2.563   0.731
  132    H    ARG  18           HN       ARG  18  -2.062  -1.550  -5.150
  133    HA   ARG  18           HA       ARG  18  -3.774   0.224  -3.553
  134    HB2  ARG  18           HB2      ARG  18  -5.529  -0.312  -5.270
  135    HB3  ARG  18           HB1      ARG  18  -4.139   0.570  -5.879
  136    HG2  ARG  18           HG2      ARG  18  -3.220  -1.558  -6.741
  137    HG3  ARG  18           HG1      ARG  18  -4.699  -2.367  -6.218
  138    HD2  ARG  18           HD2      ARG  18  -6.016  -0.937  -7.682
  139    HD3  ARG  18           HD1      ARG  18  -4.559  -0.077  -8.174
  140    HE   ARG  18           HE       ARG  18  -4.566  -2.941  -8.644
  141   HH11  ARG  18          HH11      ARG  18  -5.130   0.255  -9.958
  142   HH12  ARG  18          HH12      ARG  18  -4.985  -0.259 -11.607
  143   HH21  ARG  18          HH21      ARG  18  -4.377  -3.620 -10.818
  144   HH22  ARG  18          HH22      ARG  18  -4.554  -2.462 -12.098
  145    H    ARG  19           HN       ARG  19  -4.675  -0.626  -1.843
  146    HA   ARG  19           HA       ARG  19  -4.655  -3.448  -1.369
  147    HB2  ARG  19           HB2      ARG  19  -4.332  -1.727   0.407
  148    HB3  ARG  19           HB1      ARG  19  -6.016  -1.265   0.218
  149    HG2  ARG  19           HG2      ARG  19  -6.267  -2.677   1.960
  150    HG3  ARG  19           HG1      ARG  19  -6.353  -3.872   0.670
  151    HD2  ARG  19           HD2      ARG  19  -3.856  -3.129   2.193
  152    HD3  ARG  19           HD1      ARG  19  -4.855  -4.545   2.515
  153    HE   ARG  19           HE       ARG  19  -4.226  -4.870  -0.077
  154   HH11  ARG  19          HH11      ARG  19  -2.275  -4.165   2.740
  155   HH12  ARG  19          HH12      ARG  19  -0.864  -4.960   2.122
  156   HH21  ARG  19          HH21      ARG  19  -2.366  -5.922  -0.897
  157   HH22  ARG  19          HH22      ARG  19  -0.917  -5.969   0.058
  158    H    ALA  20           HN       ALA  20  -6.180  -4.890  -1.814
  159    HA   ALA  20           HA       ALA  20  -8.942  -3.954  -2.212
  160    HB1  ALA  20           HB1      ALA  20  -7.941  -4.476  -4.386
  161    HB2  ALA  20           HB2      ALA  20  -9.225  -5.617  -3.984
  162    HB3  ALA  20           HB3      ALA  20  -7.536  -6.094  -3.814
  163    H    ASN  21           HN       ASN  21  -8.903  -4.534   0.136
  164    HA   ASN  21           HA       ASN  21  -8.993  -7.429   0.608
  165    HB2  ASN  21           HB2      ASN  21  -7.434  -6.148   2.024
  166    HB3  ASN  21           HB1      ASN  21  -8.769  -5.151   2.587
  167   HD21  ASN  21          HD21      ASN  21  -8.958  -8.619   2.055
  168   HD22  ASN  21          HD22      ASN  21  -9.152  -9.043   3.719
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1 -16.366   1.287  -1.059
    2    H2   GLY   1           HT2      GLY   1 -16.417  -0.402  -1.071
    3    H3   GLY   1           HT3      GLY   1 -17.159   0.476  -2.312
    4    HA2  GLY   1           HA1      GLY   1 -15.070  -0.460  -3.071
    5    HA3  GLY   1           HA2      GLY   1 -15.037   1.294  -3.077
    6    H    PHE   2           HN       PHE   2 -13.032  -1.054  -2.641
    7    HA   PHE   2           HA       PHE   2 -11.862  -0.140  -0.112
    8    HB2  PHE   2           HB2      PHE   2 -10.942  -2.424  -1.870
    9    HB3  PHE   2           HB1      PHE   2 -10.451  -2.096  -0.212
   10    HD1  PHE   2           HD1      PHE   2 -12.645  -3.917  -2.293
   11    HD2  PHE   2           HD2      PHE   2 -12.342  -2.160   1.570
   12    HE1  PHE   2           HE1      PHE   2 -14.440  -5.391  -1.486
   13    HE2  PHE   2           HE2      PHE   2 -14.136  -3.631   2.384
   14    HZ   PHE   2           HZ       PHE   2 -15.189  -5.250   0.856
   15    H    ALA   3           HN       ALA   3 -11.357   1.944  -1.230
   16    HA   ALA   3           HA       ALA   3  -9.028   1.678  -3.010
   17    HB1  ALA   3           HB1      ALA   3 -10.902   4.016  -2.720
   18    HB2  ALA   3           HB2      ALA   3 -10.923   2.830  -4.025
   19    HB3  ALA   3           HB3      ALA   3  -9.536   3.905  -3.831
   20    H    TRP   4           HN       TRP   4  -7.564   1.443  -1.253
   21    HA   TRP   4           HA       TRP   4  -6.703   4.070  -0.379
   22    HB2  TRP   4           HB2      TRP   4  -5.971   2.710   1.794
   23    HB3  TRP   4           HB1      TRP   4  -7.493   3.571   1.693
   24    HD1  TRP   4           HD1      TRP   4  -6.062   0.006   1.547
   25    HE1  TRP   4           HE1      TRP   4  -7.955  -1.649   2.104
   26    HE3  TRP   4           HE3      TRP   4  -9.931   3.287   1.729
   27    HZ2  TRP   4           HZ2      TRP   4 -10.740  -1.555   2.574
   28    HZ3  TRP   4           HZ3      TRP   4 -12.193   2.446   2.239
   29    HH2  TRP   4           HH2      TRP   4 -12.587   0.071   2.653
   30    H    ASN   5           HN       ASN   5  -4.758   4.373  -1.086
   31    HA   ASN   5           HA       ASN   5  -3.074   2.195  -1.915
   32    HB2  ASN   5           HB2      ASN   5  -2.595   5.180  -1.790
   33    HB3  ASN   5           HB1      ASN   5  -1.407   4.029  -2.389
   34   HD21  ASN   5          HD21      ASN   5  -4.338   5.711  -3.037
   35   HD22  ASN   5          HD22      ASN   5  -4.499   5.226  -4.690
   36    H    VAL   6           HN       VAL   6  -1.269   1.433  -0.940
   37    HA   VAL   6           HA       VAL   6  -0.519   2.602   1.642
   38    HB   VAL   6           HB       VAL   6  -1.851   0.770   2.330
   39   HG11  VAL   6          HG11      VAL   6  -0.394  -0.941   0.335
   40   HG12  VAL   6          HG12      VAL   6  -2.068  -0.396   0.227
   41   HG13  VAL   6          HG13      VAL   6  -1.585  -1.516   1.503
   42   HG21  VAL   6          HG21      VAL   6  -0.258  -0.750   3.405
   43   HG22  VAL   6          HG22      VAL   6   0.256   0.934   3.527
   44   HG23  VAL   6          HG23      VAL   6   1.021  -0.140   2.356
   45    H    CYS   7           HN       CYS   7   1.500   3.216   1.480
   46    HA   CYS   7           HA       CYS   7   3.269   1.855  -0.417
   47    HB2  CYS   7           HB2      CYS   7   3.862   4.438   1.010
   48    HB3  CYS   7           HB1      CYS   7   4.569   3.833  -0.478
   49    H    VAL   8           HN       VAL   8   5.023   0.715   0.260
   50    HA   VAL   8           HA       VAL   8   5.844   1.027   3.072
   51    HB   VAL   8           HB       VAL   8   6.301  -1.458   3.126
   52   HG11  VAL   8          HG11      VAL   8   3.985  -2.048   3.681
   53   HG12  VAL   8          HG12      VAL   8   3.431  -0.565   2.901
   54   HG13  VAL   8          HG13      VAL   8   4.445  -0.478   4.341
   55   HG21  VAL   8          HG21      VAL   8   4.470  -1.454   0.728
   56   HG22  VAL   8          HG22      VAL   8   5.011  -2.882   1.611
   57   HG23  VAL   8          HG23      VAL   8   6.177  -1.895   0.731
   58    H    TYR   9           HN       TYR   9   8.030   0.503   3.499
   59    HA   TYR   9           HA       TYR   9   9.725   0.953   1.172
   60    HB2  TYR   9           HB2      TYR   9  10.304   1.092   4.138
   61    HB3  TYR   9           HB1      TYR   9  11.485   1.409   2.876
   62    HD1  TYR   9           HD1      TYR   9  11.379   3.447   1.553
   63    HD2  TYR   9           HD2      TYR   9   8.514   2.664   4.597
   64    HE1  TYR   9           HE1      TYR   9  10.675   5.800   1.486
   65    HE2  TYR   9           HE2      TYR   9   7.799   5.017   4.534
   66    HH   TYR   9           HH       TYR   9   8.738   7.157   2.049
   67    H    ARG  10           HN       ARG  10  10.281  -0.846   0.167
   68    HA   ARG  10           HA       ARG  10  11.274  -3.089   1.797
   69    HB2  ARG  10           HB2      ARG  10   9.518  -3.200  -0.656
   70    HB3  ARG  10           HB1      ARG  10  10.405  -4.592  -0.051
   71    HG2  ARG  10           HG2      ARG  10   9.192  -4.475   2.050
   72    HG3  ARG  10           HG1      ARG  10   8.326  -3.046   1.483
   73    HD2  ARG  10           HD2      ARG  10   7.246  -4.302  -0.239
   74    HD3  ARG  10           HD1      ARG  10   8.248  -5.714   0.087
   75    HE   ARG  10           HE       ARG  10   6.906  -5.110   2.441
   76   HH11  ARG  10          HH11      ARG  10   6.078  -6.070  -0.821
   77   HH12  ARG  10          HH12      ARG  10   4.680  -6.973  -0.334
   78   HH21  ARG  10          HH21      ARG  10   5.060  -6.293   3.087
   79   HH22  ARG  10          HH22      ARG  10   4.098  -7.099   1.888
   80    H    ASN  11           HN       ASN  11  13.319  -3.484   1.410
   81    HA   ASN  11           HA       ASN  11  15.366  -3.593   0.438
   82    HB2  ASN  11           HB2      ASN  11  14.084  -5.037  -1.184
   83    HB3  ASN  11           HB1      ASN  11  13.889  -3.619  -2.203
   84   HD21  ASN  11          HD21      ASN  11  16.796  -4.339  -0.365
   85   HD22  ASN  11          HD22      ASN  11  17.798  -4.651  -1.736
   86    H    GLY  12           HN       GLY  12  14.028  -1.021   0.924
   87    HA2  GLY  12           HA2      GLY  12  15.184   1.039   0.933
   88    HA3  GLY  12           HA1      GLY  12  15.984   0.571  -0.557
   89    H    VAL  13           HN       VAL  13  13.064  -0.247  -1.428
   90    HA   VAL  13           HA       VAL  13  12.560   2.434  -2.508
   91    HB   VAL  13           HB       VAL  13  12.987   0.619  -4.141
   92   HG11  VAL  13          HG11      VAL  13  10.363  -0.481  -3.158
   93   HG12  VAL  13          HG12      VAL  13  11.948  -1.247  -3.005
   94   HG13  VAL  13          HG13      VAL  13  11.224  -1.027  -4.598
   95   HG21  VAL  13          HG21      VAL  13  11.777   2.580  -4.842
   96   HG22  VAL  13          HG22      VAL  13  10.260   1.887  -4.263
   97   HG23  VAL  13          HG23      VAL  13  11.099   1.155  -5.632
   98    H    ARG  14           HN       ARG  14  10.617   3.396  -2.431
   99    HA   ARG  14           HA       ARG  14   8.710   2.402  -0.482
  100    HB2  ARG  14           HB2      ARG  14   9.313   4.758  -0.368
  101    HB3  ARG  14           HB1      ARG  14   8.844   4.991  -2.044
  102    HG2  ARG  14           HG2      ARG  14   6.528   4.585  -1.494
  103    HG3  ARG  14           HG1      ARG  14   6.964   4.220   0.178
  104    HD2  ARG  14           HD2      ARG  14   7.679   6.475   0.553
  105    HD3  ARG  14           HD1      ARG  14   7.512   6.866  -1.157
  106    HE   ARG  14           HE       ARG  14   5.095   6.601  -0.872
  107   HH11  ARG  14          HH11      ARG  14   7.018   7.050   2.026
  108   HH12  ARG  14          HH12      ARG  14   5.698   7.704   2.945
  109   HH21  ARG  14          HH21      ARG  14   3.370   7.489   0.339
  110   HH22  ARG  14          HH22      ARG  14   3.633   7.954   1.989
  111    H    VAL  15           HN       VAL  15   7.721   0.695  -1.451
  112    HA   VAL  15           HA       VAL  15   6.561   1.023  -4.103
  113    HB   VAL  15           HB       VAL  15   7.748  -1.063  -3.591
  114   HG11  VAL  15          HG11      VAL  15   5.585  -1.546  -1.566
  115   HG12  VAL  15          HG12      VAL  15   7.293  -1.262  -1.230
  116   HG13  VAL  15          HG13      VAL  15   6.790  -2.724  -2.080
  117   HG21  VAL  15          HG21      VAL  15   6.022  -1.120  -5.280
  118   HG22  VAL  15          HG22      VAL  15   4.797  -1.425  -4.051
  119   HG23  VAL  15          HG23      VAL  15   6.032  -2.639  -4.383
  120    H    CYS  16           HN       CYS  16   4.434   1.375  -4.462
  121    HA   CYS  16           HA       CYS  16   2.665   1.198  -2.121
  122    HB2  CYS  16           HB2      CYS  16   3.400   3.562  -3.151
  123    HB3  CYS  16           HB1      CYS  16   2.024   3.212  -4.190
  124    H    HIS  17           HN       HIS  17   0.537   0.655  -2.497
  125    HA   HIS  17           HA       HIS  17  -0.299  -0.206  -5.119
  126    HB2  HIS  17           HB2      HIS  17  -0.771  -2.563  -4.208
  127    HB3  HIS  17           HB1      HIS  17   0.881  -2.184  -4.666
  128    HD1  HIS  17           HD1      HIS  17  -1.264  -2.955  -1.705
  129    HD2  HIS  17           HD2      HIS  17   2.717  -2.100  -2.538
  130    HE1  HIS  17           HE1      HIS  17  -0.014  -3.424   0.423
  131    HE2  HIS  17           HE2      HIS  17   2.414  -3.121  -0.178
  132    H    ARG  18           HN       ARG  18  -2.497  -1.062  -5.102
  133    HA   ARG  18           HA       ARG  18  -4.100   0.399  -3.149
  134    HB2  ARG  18           HB2      ARG  18  -4.878  -0.987  -5.724
  135    HB3  ARG  18           HB1      ARG  18  -6.009  -0.157  -4.668
  136    HG2  ARG  18           HG2      ARG  18  -5.572   1.384  -6.348
  137    HG3  ARG  18           HG1      ARG  18  -4.531   1.906  -5.025
  138    HD2  ARG  18           HD2      ARG  18  -2.651   0.690  -6.086
  139    HD3  ARG  18           HD1      ARG  18  -3.710   0.295  -7.440
  140    HE   ARG  18           HE       ARG  18  -3.499   3.113  -6.837
  141   HH11  ARG  18          HH11      ARG  18  -2.229   0.439  -8.718
  142   HH12  ARG  18          HH12      ARG  18  -1.505   1.465  -9.914
  143   HH21  ARG  18          HH21      ARG  18  -2.538   4.458  -8.406
  144   HH22  ARG  18          HH22      ARG  18  -1.679   3.748  -9.735
  145    H    ARG  19           HN       ARG  19  -4.934  -0.598  -1.449
  146    HA   ARG  19           HA       ARG  19  -4.816  -3.497  -1.322
  147    HB2  ARG  19           HB2      ARG  19  -4.032  -2.004   0.554
  148    HB3  ARG  19           HB1      ARG  19  -5.710  -1.575   0.805
  149    HG2  ARG  19           HG2      ARG  19  -6.260  -3.896   1.270
  150    HG3  ARG  19           HG1      ARG  19  -4.570  -4.339   1.027
  151    HD2  ARG  19           HD2      ARG  19  -3.893  -3.031   2.910
  152    HD3  ARG  19           HD1      ARG  19  -5.510  -2.349   3.083
  153    HE   ARG  19           HE       ARG  19  -5.530  -5.197   3.263
  154   HH11  ARG  19          HH11      ARG  19  -4.812  -2.288   5.080
  155   HH12  ARG  19          HH12      ARG  19  -5.182  -3.004   6.616
  156   HH21  ARG  19          HH21      ARG  19  -6.018  -6.135   5.288
  157   HH22  ARG  19          HH22      ARG  19  -5.875  -5.187   6.731
  158    H    ALA  20           HN       ALA  20  -6.482  -4.698  -1.889
  159    HA   ALA  20           HA       ALA  20  -9.189  -3.580  -1.601
  160    HB1  ALA  20           HB1      ALA  20  -8.587  -4.092  -3.912
  161    HB2  ALA  20           HB2      ALA  20  -9.889  -5.139  -3.349
  162    HB3  ALA  20           HB3      ALA  20  -8.243  -5.759  -3.457
  163    H    ASN  21           HN       ASN  21  -7.248  -5.264   0.162
  164    HA   ASN  21           HA       ASN  21  -9.331  -6.779   1.424
  165    HB2  ASN  21           HB2      ASN  21  -8.041  -8.928   1.430
  166    HB3  ASN  21           HB1      ASN  21  -8.686  -8.478  -0.142
  167   HD21  ASN  21          HD21      ASN  21  -7.258  -7.757  -1.748
  168   HD22  ASN  21          HD22      ASN  21  -5.568  -8.108  -1.677
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1 -15.334   0.994  -3.301
    2    H2   GLY   1           HT2      GLY   1 -16.171   0.081  -2.154
    3    H3   GLY   1           HT3      GLY   1 -16.022  -0.485  -3.740
    4    HA2  GLY   1           HA1      GLY   1 -14.520  -1.651  -2.244
    5    HA3  GLY   1           HA2      GLY   1 -13.666  -0.759  -3.494
    6    H    PHE   2           HN       PHE   2 -12.389  -1.524  -1.190
    7    HA   PHE   2           HA       PHE   2 -12.020   1.047   0.200
    8    HB2  PHE   2           HB2      PHE   2 -11.448  -1.746   1.221
    9    HB3  PHE   2           HB1      PHE   2 -11.095  -0.256   2.090
   10    HD1  PHE   2           HD1      PHE   2 -13.034   1.241   2.732
   11    HD2  PHE   2           HD2      PHE   2 -13.550  -2.755   1.365
   12    HE1  PHE   2           HE1      PHE   2 -15.285   1.196   3.721
   13    HE2  PHE   2           HE2      PHE   2 -15.802  -2.806   2.353
   14    HZ   PHE   2           HZ       PHE   2 -16.678  -0.825   3.517
   15    H    ALA   3           HN       ALA   3 -10.854   0.650  -2.255
   16    HA   ALA   3           HA       ALA   3  -8.188  -0.391  -1.882
   17    HB1  ALA   3           HB1      ALA   3  -9.405   1.064  -4.219
   18    HB2  ALA   3           HB2      ALA   3  -9.277  -0.685  -4.032
   19    HB3  ALA   3           HB3      ALA   3  -7.820   0.296  -4.199
   20    H    TRP   4           HN       TRP   4  -7.472   0.981  -0.198
   21    HA   TRP   4           HA       TRP   4  -6.858   3.706  -1.018
   22    HB2  TRP   4           HB2      TRP   4  -5.567   3.303   1.404
   23    HB3  TRP   4           HB1      TRP   4  -7.118   4.090   1.175
   24    HD1  TRP   4           HD1      TRP   4  -5.781   0.516   1.898
   25    HE1  TRP   4           HE1      TRP   4  -7.471  -0.662   3.429
   26    HE3  TRP   4           HE3      TRP   4  -9.360   4.154   2.088
   27    HZ2  TRP   4           HZ2      TRP   4  -9.993  -0.124   4.566
   28    HZ3  TRP   4           HZ3      TRP   4 -11.381   3.740   3.427
   29    HH2  TRP   4           HH2      TRP   4 -11.690   1.647   4.640
   30    H    ASN   5           HN       ASN   5  -4.879   4.379  -1.591
   31    HA   ASN   5           HA       ASN   5  -2.956   2.400  -2.352
   32    HB2  ASN   5           HB2      ASN   5  -3.170   4.286  -3.799
   33    HB3  ASN   5           HB1      ASN   5  -2.937   5.416  -2.470
   34   HD21  ASN   5          HD21      ASN   5  -0.890   5.920  -1.810
   35   HD22  ASN   5          HD22      ASN   5   0.536   5.375  -2.623
   36    H    VAL   6           HN       VAL   6  -1.413   1.612  -1.185
   37    HA   VAL   6           HA       VAL   6  -0.602   3.013   1.271
   38    HB   VAL   6           HB       VAL   6  -0.604   0.030   0.760
   39   HG11  VAL   6          HG11      VAL   6  -0.070   1.582   3.290
   40   HG12  VAL   6          HG12      VAL   6   1.135   0.743   2.313
   41   HG13  VAL   6          HG13      VAL   6  -0.121  -0.174   3.143
   42   HG21  VAL   6          HG21      VAL   6  -2.879   0.854   0.925
   43   HG22  VAL   6          HG22      VAL   6  -2.486   1.701   2.420
   44   HG23  VAL   6          HG23      VAL   6  -2.457  -0.061   2.373
   45    H    CYS   7           HN       CYS   7   1.338   3.875   0.985
   46    HA   CYS   7           HA       CYS   7   3.319   2.503  -0.675
   47    HB2  CYS   7           HB2      CYS   7   3.526   5.200   0.662
   48    HB3  CYS   7           HB1      CYS   7   4.614   4.545  -0.549
   49    H    VAL   8           HN       VAL   8   4.842   1.289   0.198
   50    HA   VAL   8           HA       VAL   8   5.655   1.743   2.983
   51    HB   VAL   8           HB       VAL   8   5.623  -0.766   3.352
   52   HG11  VAL   8          HG11      VAL   8   2.994   0.671   3.020
   53   HG12  VAL   8          HG12      VAL   8   4.023   0.671   4.452
   54   HG13  VAL   8          HG13      VAL   8   3.227  -0.818   3.938
   55   HG21  VAL   8          HG21      VAL   8   3.788  -0.681   0.960
   56   HG22  VAL   8          HG22      VAL   8   4.039  -2.073   2.014
   57   HG23  VAL   8          HG23      VAL   8   5.370  -1.459   1.034
   58    H    TYR   9           HN       TYR   9   7.677   0.740   3.531
   59    HA   TYR   9           HA       TYR   9   9.509   0.810   1.325
   60    HB2  TYR   9           HB2      TYR   9   9.830   0.468   4.293
   61    HB3  TYR   9           HB1      TYR   9  11.188   0.269   3.194
   62    HD1  TYR   9           HD1      TYR   9  12.086   2.186   1.968
   63    HD2  TYR   9           HD2      TYR   9   8.876   2.632   4.720
   64    HE1  TYR   9           HE1      TYR   9  12.451   4.618   1.987
   65    HE2  TYR   9           HE2      TYR   9   9.227   5.062   4.747
   66    HH   TYR   9           HH       TYR   9  10.893   6.686   4.279
   67    H    ARG  10           HN       ARG  10   9.949  -0.831   0.102
   68    HA   ARG  10           HA       ARG  10  10.345  -3.460   1.335
   69    HB2  ARG  10           HB2      ARG  10   8.138  -3.520   0.263
   70    HB3  ARG  10           HB1      ARG  10   8.842  -2.956  -1.244
   71    HG2  ARG  10           HG2      ARG  10   8.424  -5.342  -1.322
   72    HG3  ARG  10           HG1      ARG  10  10.154  -5.010  -1.407
   73    HD2  ARG  10           HD2      ARG  10  10.371  -5.520   0.970
   74    HD3  ARG  10           HD1      ARG  10   8.643  -5.839   1.069
   75    HE   ARG  10           HE       ARG  10   9.550  -7.515  -0.892
   76   HH11  ARG  10          HH11      ARG  10  10.432  -6.948   2.446
   77   HH12  ARG  10          HH12      ARG  10  10.846  -8.602   2.758
   78   HH21  ARG  10          HH21      ARG  10  10.115  -9.706  -0.493
   79   HH22  ARG  10          HH22      ARG  10  10.679 -10.168   1.083
   80    H    ASN  11           HN       ASN  11  12.357  -4.049   0.970
   81    HA   ASN  11           HA       ASN  11  14.422  -4.287   0.059
   82    HB2  ASN  11           HB2      ASN  11  13.055  -5.198  -1.864
   83    HB3  ASN  11           HB1      ASN  11  13.149  -3.605  -2.603
   84   HD21  ASN  11          HD21      ASN  11  14.252  -4.354  -4.382
   85   HD22  ASN  11          HD22      ASN  11  15.906  -4.859  -4.314
   86    H    GLY  12           HN       GLY  12  13.453  -1.726   1.033
   87    HA2  GLY  12           HA2      GLY  12  14.714   0.218   1.412
   88    HA3  GLY  12           HA1      GLY  12  15.594  -0.087  -0.075
   89    H    VAL  13           HN       VAL  13  12.847  -0.519  -1.383
   90    HA   VAL  13           HA       VAL  13  12.540   2.314  -2.060
   91    HB   VAL  13           HB       VAL  13  11.419  -0.066  -3.536
   92   HG11  VAL  13          HG11      VAL  13  10.284   2.024  -4.034
   93   HG12  VAL  13          HG12      VAL  13  11.240   1.497  -5.419
   94   HG13  VAL  13          HG13      VAL  13  11.829   2.798  -4.384
   95   HG21  VAL  13          HG21      VAL  13  13.833  -0.254  -3.489
   96   HG22  VAL  13          HG22      VAL  13  13.996   1.419  -4.026
   97   HG23  VAL  13          HG23      VAL  13  13.296   0.212  -5.103
   98    H    ARG  14           HN       ARG  14  10.710   3.414  -1.673
   99    HA   ARG  14           HA       ARG  14   8.617   2.201  -0.129
  100    HB2  ARG  14           HB2      ARG  14   9.437   4.526   0.225
  101    HB3  ARG  14           HB1      ARG  14   8.781   4.961  -1.346
  102    HG2  ARG  14           HG2      ARG  14   6.539   4.272  -0.508
  103    HG3  ARG  14           HG1      ARG  14   7.263   4.093   1.093
  104    HD2  ARG  14           HD2      ARG  14   6.270   6.269   0.952
  105    HD3  ARG  14           HD1      ARG  14   8.025   6.442   0.942
  106    HE   ARG  14           HE       ARG  14   7.497   6.423  -1.668
  107   HH11  ARG  14          HH11      ARG  14   5.938   8.174   0.931
  108   HH12  ARG  14          HH12      ARG  14   5.555   9.546  -0.057
  109   HH21  ARG  14          HH21      ARG  14   6.986   8.210  -2.972
  110   HH22  ARG  14          HH22      ARG  14   6.138   9.560  -2.282
  111    H    VAL  15           HN       VAL  15   7.397   0.797  -1.270
  112    HA   VAL  15           HA       VAL  15   6.629   1.443  -4.005
  113    HB   VAL  15           HB       VAL  15   7.510  -0.801  -3.482
  114   HG11  VAL  15          HG11      VAL  15   6.646  -1.113  -1.253
  115   HG12  VAL  15          HG12      VAL  15   6.107  -2.428  -2.296
  116   HG13  VAL  15          HG13      VAL  15   4.994  -1.130  -1.867
  117   HG21  VAL  15          HG21      VAL  15   6.084  -0.498  -5.421
  118   HG22  VAL  15          HG22      VAL  15   4.652  -0.775  -4.432
  119   HG23  VAL  15          HG23      VAL  15   5.809  -2.081  -4.695
  120    H    CYS  16           HN       CYS  16   4.627   2.004  -4.624
  121    HA   CYS  16           HA       CYS  16   2.577   2.188  -2.525
  122    HB2  CYS  16           HB2      CYS  16   2.787   3.724  -5.116
  123    HB3  CYS  16           HB1      CYS  16   1.548   3.944  -3.890
  124    H    HIS  17           HN       HIS  17   0.844   0.970  -2.681
  125    HA   HIS  17           HA       HIS  17  -0.095   0.059  -5.277
  126    HB2  HIS  17           HB2      HIS  17  -0.330  -2.284  -4.456
  127    HB3  HIS  17           HB1      HIS  17   1.330  -1.776  -4.687
  128    HD1  HIS  17           HD1      HIS  17  -1.046  -3.001  -2.136
  129    HD2  HIS  17           HD2      HIS  17   2.796  -1.422  -2.248
  130    HE1  HIS  17           HE1      HIS  17  -0.054  -3.485   0.118
  131    HE2  HIS  17           HE2      HIS  17   2.338  -2.721  -0.059
  132    H    ARG  18           HN       ARG  18  -2.208  -0.919  -5.160
  133    HA   ARG  18           HA       ARG  18  -3.828   0.528  -3.239
  134    HB2  ARG  18           HB2      ARG  18  -5.746  -0.277  -4.642
  135    HB3  ARG  18           HB1      ARG  18  -4.573   0.710  -5.497
  136    HG2  ARG  18           HG2      ARG  18  -4.831  -0.911  -7.047
  137    HG3  ARG  18           HG1      ARG  18  -3.583  -1.694  -6.082
  138    HD2  ARG  18           HD2      ARG  18  -5.326  -3.283  -6.551
  139    HD3  ARG  18           HD1      ARG  18  -5.353  -2.888  -4.834
  140    HE   ARG  18           HE       ARG  18  -7.142  -1.198  -6.193
  141   HH11  ARG  18          HH11      ARG  18  -6.779  -4.554  -5.274
  142   HH12  ARG  18          HH12      ARG  18  -8.485  -4.861  -5.215
  143   HH21  ARG  18          HH21      ARG  18  -9.403  -1.601  -6.123
  144   HH22  ARG  18          HH22      ARG  18  -9.977  -3.183  -5.708
  145    H    ARG  19           HN       ARG  19  -4.685  -0.302  -1.483
  146    HA   ARG  19           HA       ARG  19  -4.270  -3.017  -0.743
  147    HB2  ARG  19           HB2      ARG  19  -4.328  -1.283   0.939
  148    HB3  ARG  19           HB1      ARG  19  -5.961  -0.835   0.471
  149    HG2  ARG  19           HG2      ARG  19  -6.306  -2.058   2.391
  150    HG3  ARG  19           HG1      ARG  19  -6.566  -3.257   1.128
  151    HD2  ARG  19           HD2      ARG  19  -3.994  -2.877   2.655
  152    HD3  ARG  19           HD1      ARG  19  -5.209  -4.099   3.015
  153    HE   ARG  19           HE       ARG  19  -3.463  -4.026   0.650
  154   HH11  ARG  19          HH11      ARG  19  -5.827  -5.709   2.626
  155   HH12  ARG  19          HH12      ARG  19  -5.475  -7.263   1.930
  156   HH21  ARG  19          HH21      ARG  19  -3.004  -6.077  -0.250
  157   HH22  ARG  19          HH22      ARG  19  -3.871  -7.472   0.305
  158    H    ALA  20           HN       ALA  20  -5.511  -4.733  -1.094
  159    HA   ALA  20           HA       ALA  20  -8.088  -4.381  -2.411
  160    HB1  ALA  20           HB1      ALA  20  -7.962  -6.796  -2.818
  161    HB2  ALA  20           HB2      ALA  20  -6.471  -6.874  -1.879
  162    HB3  ALA  20           HB3      ALA  20  -6.517  -5.964  -3.390
  163    H    ASN  21           HN       ASN  21  -8.231  -3.487   0.111
  164    HA   ASN  21           HA       ASN  21  -9.192  -3.647   2.149
  165    HB2  ASN  21           HB2      ASN  21 -11.176  -4.331   0.859
  166    HB3  ASN  21           HB1      ASN  21 -10.653  -6.010   0.945
  167   HD21  ASN  21          HD21      ASN  21 -11.900  -3.301   2.742
  168   HD22  ASN  21          HD22      ASN  21 -12.434  -4.203   4.118
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1 -16.028   3.469  -1.699
    2    H2   GLY   1           HT2      GLY   1 -16.356   3.500  -3.357
    3    H3   GLY   1           HT3      GLY   1 -14.885   4.092  -2.776
    4    HA2  GLY   1           HA1      GLY   1 -15.784   1.270  -2.683
    5    HA3  GLY   1           HA2      GLY   1 -14.564   1.930  -3.766
    6    H    PHE   2           HN       PHE   2 -12.998   0.490  -2.937
    7    HA   PHE   2           HA       PHE   2 -12.101   1.141  -0.211
    8    HB2  PHE   2           HB2      PHE   2 -10.938  -1.076  -0.255
    9    HB3  PHE   2           HB1      PHE   2 -12.693  -1.180  -0.293
   10    HD1  PHE   2           HD1      PHE   2 -13.793  -1.529  -2.597
   11    HD2  PHE   2           HD2      PHE   2  -9.658  -2.189  -1.831
   12    HE1  PHE   2           HE1      PHE   2 -13.662  -2.981  -4.579
   13    HE2  PHE   2           HE2      PHE   2  -9.517  -3.634  -3.816
   14    HZ   PHE   2           HZ       PHE   2 -11.521  -4.032  -5.193
   15    H    ALA   3           HN       ALA   3 -11.493   2.827  -2.250
   16    HA   ALA   3           HA       ALA   3  -8.925   2.142  -3.376
   17    HB1  ALA   3           HB1      ALA   3  -9.059   4.279  -4.507
   18    HB2  ALA   3           HB2      ALA   3 -10.451   4.737  -3.532
   19    HB3  ALA   3           HB3      ALA   3 -10.580   3.408  -4.684
   20    H    TRP   4           HN       TRP   4  -7.697   1.909  -1.452
   21    HA   TRP   4           HA       TRP   4  -6.579   4.490  -0.702
   22    HB2  TRP   4           HB2      TRP   4  -6.043   3.198   1.542
   23    HB3  TRP   4           HB1      TRP   4  -7.526   4.111   1.343
   24    HD1  TRP   4           HD1      TRP   4  -6.275   0.448   1.188
   25    HE1  TRP   4           HE1      TRP   4  -8.237  -1.081   1.851
   26    HE3  TRP   4           HE3      TRP   4  -9.927   3.981   1.604
   27    HZ2  TRP   4           HZ2      TRP   4 -10.978  -0.814   2.478
   28    HZ3  TRP   4           HZ3      TRP   4 -12.196   3.269   2.243
   29    HH2  TRP   4           HH2      TRP   4 -12.709   0.921   2.670
   30    H    ASN   5           HN       ASN   5  -4.616   4.546  -1.480
   31    HA   ASN   5           HA       ASN   5  -3.165   2.112  -2.060
   32    HB2  ASN   5           HB2      ASN   5  -2.534   5.028  -2.534
   33    HB3  ASN   5           HB1      ASN   5  -1.433   3.721  -2.952
   34   HD21  ASN   5          HD21      ASN   5  -2.891   5.725  -4.580
   35   HD22  ASN   5          HD22      ASN   5  -3.748   4.803  -5.766
   36    H    VAL   6           HN       VAL   6  -1.514   1.312  -0.945
   37    HA   VAL   6           HA       VAL   6  -0.612   2.806   1.423
   38    HB   VAL   6           HB       VAL   6  -0.964  -0.190   1.156
   39   HG11  VAL   6          HG11      VAL   6  -0.405  -0.265   3.544
   40   HG12  VAL   6          HG12      VAL   6  -0.083   1.470   3.518
   41   HG13  VAL   6          HG13      VAL   6   0.930   0.371   2.580
   42   HG21  VAL   6          HG21      VAL   6  -2.519   1.829   2.770
   43   HG22  VAL   6          HG22      VAL   6  -2.726   0.079   2.842
   44   HG23  VAL   6          HG23      VAL   6  -3.099   0.951   1.355
   45    H    CYS   7           HN       CYS   7   1.416   3.412   1.180
   46    HA   CYS   7           HA       CYS   7   3.254   2.039  -0.552
   47    HB2  CYS   7           HB2      CYS   7   3.416   4.445   1.190
   48    HB3  CYS   7           HB1      CYS   7   4.904   3.673   0.686
   49    H    VAL   8           HN       VAL   8   4.850   0.718  -0.056
   50    HA   VAL   8           HA       VAL   8   5.399   0.141   2.774
   51    HB   VAL   8           HB       VAL   8   5.719  -2.271   2.165
   52   HG11  VAL   8          HG11      VAL   8   3.733  -1.542   3.354
   53   HG12  VAL   8          HG12      VAL   8   3.336  -2.839   2.228
   54   HG13  VAL   8          HG13      VAL   8   2.933  -1.169   1.828
   55   HG21  VAL   8          HG21      VAL   8   4.582  -3.106   0.146
   56   HG22  VAL   8          HG22      VAL   8   5.947  -2.057  -0.231
   57   HG23  VAL   8          HG23      VAL   8   4.300  -1.441  -0.361
   58    H    TYR   9           HN       TYR   9   7.521  -0.901   3.073
   59    HA   TYR   9           HA       TYR   9   9.402   0.288   1.178
   60    HB2  TYR   9           HB2      TYR   9   9.695  -0.523   4.071
   61    HB3  TYR   9           HB1      TYR   9  11.032   0.026   3.072
   62    HD1  TYR   9           HD1      TYR   9  11.011   2.348   2.157
   63    HD2  TYR   9           HD2      TYR   9   8.161   1.025   5.021
   64    HE1  TYR   9           HE1      TYR   9  10.441   4.685   2.658
   65    HE2  TYR   9           HE2      TYR   9   7.584   3.359   5.534
   66    HH   TYR   9           HH       TYR   9   8.626   5.592   5.362
   67    H    ARG  10           HN       ARG  10   9.802  -1.151  -0.358
   68    HA   ARG  10           HA       ARG  10  10.592  -3.868   0.441
   69    HB2  ARG  10           HB2      ARG  10   9.719  -2.762  -2.229
   70    HB3  ARG  10           HB1      ARG  10  10.307  -4.400  -1.990
   71    HG2  ARG  10           HG2      ARG  10   7.919  -3.257  -0.577
   72    HG3  ARG  10           HG1      ARG  10   7.827  -4.180  -2.077
   73    HD2  ARG  10           HD2      ARG  10   7.414  -5.777  -0.436
   74    HD3  ARG  10           HD1      ARG  10   9.127  -5.988  -0.785
   75    HE   ARG  10           HE       ARG  10   9.078  -4.234   1.309
   76   HH11  ARG  10          HH11      ARG  10   7.761  -7.424   0.736
   77   HH12  ARG  10          HH12      ARG  10   7.847  -7.901   2.403
   78   HH21  ARG  10          HH21      ARG  10   9.181  -4.852   3.512
   79   HH22  ARG  10          HH22      ARG  10   8.651  -6.436   3.982
   80    H    ASN  11           HN       ASN  11  12.665  -3.721   0.954
   81    HA   ASN  11           HA       ASN  11  14.913  -3.505   0.775
   82    HB2  ASN  11           HB2      ASN  11  14.435  -4.950  -1.236
   83    HB3  ASN  11           HB1      ASN  11  14.457  -3.487  -2.215
   84   HD21  ASN  11          HD21      ASN  11  16.210  -4.234  -3.416
   85   HD22  ASN  11          HD22      ASN  11  17.814  -4.275  -2.767
   86    H    GLY  12           HN       GLY  12  13.551  -1.145   1.217
   87    HA2  GLY  12           HA2      GLY  12  14.336   1.037   1.486
   88    HA3  GLY  12           HA1      GLY  12  15.536   0.734   0.240
   89    H    VAL  13           HN       VAL  13  12.708  -0.315  -1.041
   90    HA   VAL  13           HA       VAL  13  12.255   2.254  -2.387
   91    HB   VAL  13           HB       VAL  13  11.216  -0.456  -3.180
   92   HG11  VAL  13          HG11      VAL  13  10.775   0.577  -5.342
   93   HG12  VAL  13          HG12      VAL  13  11.358   2.121  -4.723
   94   HG13  VAL  13          HG13      VAL  13   9.901   1.394  -4.046
   95   HG21  VAL  13          HG21      VAL  13  13.631   1.022  -4.210
   96   HG22  VAL  13          HG22      VAL  13  12.969  -0.457  -4.905
   97   HG23  VAL  13          HG23      VAL  13  13.640  -0.473  -3.275
   98    H    ARG  14           HN       ARG  14  10.550   3.406  -1.881
   99    HA   ARG  14           HA       ARG  14   8.433   2.275  -0.242
  100    HB2  ARG  14           HB2      ARG  14   9.533   4.452   0.317
  101    HB3  ARG  14           HB1      ARG  14   8.854   5.124  -1.159
  102    HG2  ARG  14           HG2      ARG  14   6.617   4.800  -0.329
  103    HG3  ARG  14           HG1      ARG  14   7.241   3.995   1.114
  104    HD2  ARG  14           HD2      ARG  14   6.756   6.226   1.741
  105    HD3  ARG  14           HD1      ARG  14   8.509   6.090   1.610
  106    HE   ARG  14           HE       ARG  14   8.151   7.095  -0.702
  107   HH11  ARG  14          HH11      ARG  14   6.098   7.822   2.051
  108   HH12  ARG  14          HH12      ARG  14   5.708   9.416   1.491
  109   HH21  ARG  14          HH21      ARG  14   7.631   9.187  -1.429
  110   HH22  ARG  14          HH22      ARG  14   6.569  10.187  -0.489
  111    H    VAL  15           HN       VAL  15   6.989   1.178  -1.451
  112    HA   VAL  15           HA       VAL  15   6.058   2.454  -3.938
  113    HB   VAL  15           HB       VAL  15   7.268   0.427  -4.428
  114   HG11  VAL  15          HG11      VAL  15   7.058  -0.730  -2.312
  115   HG12  VAL  15          HG12      VAL  15   6.542  -1.769  -3.640
  116   HG13  VAL  15          HG13      VAL  15   5.339  -0.992  -2.609
  117   HG21  VAL  15          HG21      VAL  15   5.556  -0.815  -5.668
  118   HG22  VAL  15          HG22      VAL  15   5.356   0.929  -5.839
  119   HG23  VAL  15          HG23      VAL  15   4.302   0.023  -4.754
  120    H    CYS  16           HN       CYS  16   4.024   3.100  -3.959
  121    HA   CYS  16           HA       CYS  16   2.143   2.093  -1.988
  122    HB2  CYS  16           HB2      CYS  16   2.124   4.368  -3.915
  123    HB3  CYS  16           HB1      CYS  16   0.599   3.757  -3.307
  124    H    HIS  17           HN       HIS  17   0.460   0.858  -2.377
  125    HA   HIS  17           HA       HIS  17  -0.164   0.021  -5.096
  126    HB2  HIS  17           HB2      HIS  17  -0.105  -2.379  -4.431
  127    HB3  HIS  17           HB1      HIS  17   1.475  -1.623  -4.463
  128    HD1  HIS  17           HD1      HIS  17  -1.140  -2.855  -2.039
  129    HD2  HIS  17           HD2      HIS  17   2.852  -1.695  -2.070
  130    HE1  HIS  17           HE1      HIS  17  -0.255  -3.415   0.246
  131    HE2  HIS  17           HE2      HIS  17   2.212  -2.933   0.106
  132    H    ARG  18           HN       ARG  18  -2.103  -1.256  -5.208
  133    HA   ARG  18           HA       ARG  18  -4.237  -0.287  -3.641
  134    HB2  ARG  18           HB2      ARG  18  -4.143  -2.886  -5.191
  135    HB3  ARG  18           HB1      ARG  18  -5.587  -2.032  -4.675
  136    HG2  ARG  18           HG2      ARG  18  -3.582  -1.054  -6.695
  137    HG3  ARG  18           HG1      ARG  18  -5.175  -1.724  -7.044
  138    HD2  ARG  18           HD2      ARG  18  -6.131   0.149  -5.643
  139    HD3  ARG  18           HD1      ARG  18  -4.517   0.862  -5.653
  140    HE   ARG  18           HE       ARG  18  -6.097   0.333  -8.089
  141   HH11  ARG  18          HH11      ARG  18  -3.896   2.363  -6.252
  142   HH12  ARG  18          HH12      ARG  18  -3.706   3.511  -7.543
  143   HH21  ARG  18          HH21      ARG  18  -5.845   1.847  -9.753
  144   HH22  ARG  18          HH22      ARG  18  -4.795   3.211  -9.527
  145    H    ARG  19           HN       ARG  19  -5.253  -1.139  -1.837
  146    HA   ARG  19           HA       ARG  19  -3.694  -3.141  -0.405
  147    HB2  ARG  19           HB2      ARG  19  -4.355  -1.036   0.744
  148    HB3  ARG  19           HB1      ARG  19  -6.040  -1.520   0.583
  149    HG2  ARG  19           HG2      ARG  19  -5.579  -3.523   1.920
  150    HG3  ARG  19           HG1      ARG  19  -3.906  -2.997   2.110
  151    HD2  ARG  19           HD2      ARG  19  -4.675  -0.970   3.239
  152    HD3  ARG  19           HD1      ARG  19  -6.348  -1.498   3.050
  153    HE   ARG  19           HE       ARG  19  -5.053  -3.565   4.349
  154   HH11  ARG  19          HH11      ARG  19  -5.678  -0.167   4.959
  155   HH12  ARG  19          HH12      ARG  19  -5.699  -0.353   6.684
  156   HH21  ARG  19          HH21      ARG  19  -5.042  -3.797   6.617
  157   HH22  ARG  19          HH22      ARG  19  -5.328  -2.415   7.627
  158    H    ALA  20           HN       ALA  20  -4.305  -5.164  -0.149
  159    HA   ALA  20           HA       ALA  20  -7.028  -5.947  -0.939
  160    HB1  ALA  20           HB1      ALA  20  -5.222  -7.086  -2.140
  161    HB2  ALA  20           HB2      ALA  20  -6.127  -8.220  -1.135
  162    HB3  ALA  20           HB3      ALA  20  -4.548  -7.641  -0.607
  163    H    ASN  21           HN       ASN  21  -6.946  -4.679   1.386
  164    HA   ASN  21           HA       ASN  21  -7.339  -4.695   3.602
  165    HB2  ASN  21           HB2      ASN  21  -9.144  -6.264   2.984
  166    HB3  ASN  21           HB1      ASN  21  -8.030  -7.610   3.190
  167   HD21  ASN  21          HD21      ASN  21  -9.881  -5.153   4.786
  168   HD22  ASN  21          HD22      ASN  21  -9.738  -5.795   6.386
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1 -16.851   0.884  -4.237
    2    H2   GLY   1           HT2      GLY   1 -16.628   1.184  -5.886
    3    H3   GLY   1           HT3      GLY   1 -16.184   2.349  -4.746
    4    HA2  GLY   1           HA1      GLY   1 -14.940  -0.324  -5.030
    5    HA3  GLY   1           HA2      GLY   1 -14.250   1.179  -5.626
    6    H    PHE   2           HN       PHE   2 -12.487   0.291  -4.198
    7    HA   PHE   2           HA       PHE   2 -12.770   1.445  -1.514
    8    HB2  PHE   2           HB2      PHE   2 -11.497  -1.235  -2.130
    9    HB3  PHE   2           HB1      PHE   2 -11.518  -0.450  -0.557
   10    HD1  PHE   2           HD1      PHE   2 -13.894   0.121   0.379
   11    HD2  PHE   2           HD2      PHE   2 -13.123  -2.780  -2.639
   12    HE1  PHE   2           HE1      PHE   2 -16.027  -0.983   0.903
   13    HE2  PHE   2           HE2      PHE   2 -15.258  -3.887  -2.121
   14    HZ   PHE   2           HZ       PHE   2 -16.712  -2.990  -0.348
   15    H    ALA   3           HN       ALA   3 -11.516   3.212  -1.996
   16    HA   ALA   3           HA       ALA   3  -8.961   2.763  -3.340
   17    HB1  ALA   3           HB1      ALA   3  -8.946   5.158  -3.768
   18    HB2  ALA   3           HB2      ALA   3 -10.424   5.345  -2.826
   19    HB3  ALA   3           HB3      ALA   3 -10.449   4.424  -4.329
   20    H    TRP   4           HN       TRP   4  -7.845   1.928  -1.510
   21    HA   TRP   4           HA       TRP   4  -6.750   4.144   0.039
   22    HB2  TRP   4           HB2      TRP   4  -6.188   2.224   1.736
   23    HB3  TRP   4           HB1      TRP   4  -7.720   3.073   1.810
   24    HD1  TRP   4           HD1      TRP   4  -6.312  -0.238   0.326
   25    HE1  TRP   4           HE1      TRP   4  -8.175  -2.012   0.497
   26    HE3  TRP   4           HE3      TRP   4 -10.026   2.712   2.182
   27    HZ2  TRP   4           HZ2      TRP   4 -10.882  -2.127   1.333
   28    HZ3  TRP   4           HZ3      TRP   4 -12.227   1.701   2.648
   29    HH2  TRP   4           HH2      TRP   4 -12.642  -0.666   2.230
   30    H    ASN   5           HN       ASN   5  -4.701   4.455  -0.452
   31    HA   ASN   5           HA       ASN   5  -3.242   2.294  -1.774
   32    HB2  ASN   5           HB2      ASN   5  -2.666   5.254  -1.574
   33    HB3  ASN   5           HB1      ASN   5  -1.587   4.095  -2.344
   34   HD21  ASN   5          HD21      ASN   5  -4.564   5.842  -2.587
   35   HD22  ASN   5          HD22      ASN   5  -4.909   5.436  -4.231
   36    H    VAL   6           HN       VAL   6  -1.566   1.302  -0.892
   37    HA   VAL   6           HA       VAL   6  -0.660   2.205   1.758
   38    HB   VAL   6           HB       VAL   6  -0.997  -0.625   0.743
   39   HG11  VAL   6          HG11      VAL   6  -0.262  -1.331   2.969
   40   HG12  VAL   6          HG12      VAL   6   0.068   0.350   3.391
   41   HG13  VAL   6          HG13      VAL   6   1.004  -0.441   2.121
   42   HG21  VAL   6          HG21      VAL   6  -3.098   0.381   1.385
   43   HG22  VAL   6          HG22      VAL   6  -2.409   0.904   2.921
   44   HG23  VAL   6          HG23      VAL   6  -2.617  -0.816   2.591
   45    H    CYS   7           HN       CYS   7   1.308   2.999   1.549
   46    HA   CYS   7           HA       CYS   7   3.094   1.944  -0.502
   47    HB2  CYS   7           HB2      CYS   7   3.516   4.306   1.331
   48    HB3  CYS   7           HB1      CYS   7   4.468   3.896  -0.084
   49    H    VAL   8           HN       VAL   8   4.868   0.728  -0.042
   50    HA   VAL   8           HA       VAL   8   5.599   0.442   2.794
   51    HB   VAL   8           HB       VAL   8   6.015  -2.014   2.337
   52   HG11  VAL   8          HG11      VAL   8   4.156  -1.266   3.694
   53   HG12  VAL   8          HG12      VAL   8   3.670  -2.641   2.704
   54   HG13  VAL   8          HG13      VAL   8   3.175  -1.010   2.251
   55   HG21  VAL   8          HG21      VAL   8   5.939  -1.959  -0.095
   56   HG22  VAL   8          HG22      VAL   8   4.251  -1.448  -0.047
   57   HG23  VAL   8          HG23      VAL   8   4.708  -3.049   0.536
   58    H    TYR   9           HN       TYR   9   7.737  -0.025   3.216
   59    HA   TYR   9           HA       TYR   9   9.565   0.665   1.065
   60    HB2  TYR   9           HB2      TYR   9   9.923   0.327   4.042
   61    HB3  TYR   9           HB1      TYR   9  11.265   0.621   2.946
   62    HD1  TYR   9           HD1      TYR   9  11.455   2.778   1.766
   63    HD2  TYR   9           HD2      TYR   9   8.400   2.075   4.639
   64    HE1  TYR   9           HE1      TYR   9  11.058   5.197   1.928
   65    HE2  TYR   9           HE2      TYR   9   7.993   4.493   4.804
   66    HH   TYR   9           HH       TYR   9   9.370   6.743   2.595
   67    H    ARG  10           HN       ARG  10  10.030  -0.978  -0.230
   68    HA   ARG  10           HA       ARG  10  10.810  -3.533   1.015
   69    HB2  ARG  10           HB2      ARG  10   9.556  -3.080  -1.698
   70    HB3  ARG  10           HB1      ARG  10  10.099  -4.635  -1.080
   71    HG2  ARG  10           HG2      ARG  10   7.971  -2.935   0.180
   72    HG3  ARG  10           HG1      ARG  10   7.663  -4.301  -0.891
   73    HD2  ARG  10           HD2      ARG  10   9.066  -4.395   1.779
   74    HD3  ARG  10           HD1      ARG  10   7.427  -4.945   1.446
   75    HE   ARG  10           HE       ARG  10   9.550  -6.194  -0.099
   76   HH11  ARG  10          HH11      ARG  10   7.409  -6.382   2.663
   77   HH12  ARG  10          HH12      ARG  10   7.563  -8.105   2.822
   78   HH21  ARG  10          HH21      ARG  10   9.757  -8.458   0.115
   79   HH22  ARG  10          HH22      ARG  10   8.887  -9.284   1.371
   80    H    ASN  11           HN       ASN  11  12.906  -3.526   1.074
   81    HA   ASN  11           HA       ASN  11  15.087  -3.562   0.451
   82    HB2  ASN  11           HB2      ASN  11  14.179  -4.928  -1.471
   83    HB3  ASN  11           HB1      ASN  11  14.134  -3.446  -2.417
   84   HD21  ASN  11          HD21      ASN  11  15.611  -4.184  -3.913
   85   HD22  ASN  11          HD22      ASN  11  17.289  -4.383  -3.550
   86    H    GLY  12           HN       GLY  12  13.643  -1.079   0.917
   87    HA2  GLY  12           HA2      GLY  12  14.781   0.981   1.234
   88    HA3  GLY  12           HA1      GLY  12  15.708   0.665  -0.221
   89    H    VAL  13           HN       VAL  13  12.977  -0.101  -1.503
   90    HA   VAL  13           HA       VAL  13  12.442   2.664  -2.299
   91    HB   VAL  13           HB       VAL  13  13.023   1.069  -4.088
   92   HG11  VAL  13          HG11      VAL  13  12.023  -0.953  -3.203
   93   HG12  VAL  13          HG12      VAL  13  11.394  -0.610  -4.817
   94   HG13  VAL  13          HG13      VAL  13  10.412  -0.259  -3.395
   95   HG21  VAL  13          HG21      VAL  13  10.236   2.196  -4.244
   96   HG22  VAL  13          HG22      VAL  13  11.200   1.673  -5.624
   97   HG23  VAL  13          HG23      VAL  13  11.734   3.035  -4.641
   98    H    ARG  14           HN       ARG  14  10.501   3.598  -2.184
   99    HA   ARG  14           HA       ARG  14   8.540   2.351  -0.433
  100    HB2  ARG  14           HB2      ARG  14   9.339   4.736  -0.147
  101    HB3  ARG  14           HB1      ARG  14   8.490   5.126  -1.636
  102    HG2  ARG  14           HG2      ARG  14   6.383   4.387  -0.593
  103    HG3  ARG  14           HG1      ARG  14   7.259   4.102   0.914
  104    HD2  ARG  14           HD2      ARG  14   7.975   6.508   0.832
  105    HD3  ARG  14           HD1      ARG  14   6.856   6.723  -0.513
  106    HE   ARG  14           HE       ARG  14   5.800   5.645   1.987
  107   HH11  ARG  14          HH11      ARG  14   6.107   8.368  -0.192
  108   HH12  ARG  14          HH12      ARG  14   4.810   9.258   0.535
  109   HH21  ARG  14          HH21      ARG  14   4.109   6.826   2.962
  110   HH22  ARG  14          HH22      ARG  14   3.674   8.381   2.331
  111    H    VAL  15           HN       VAL  15   7.444   0.861  -1.637
  112    HA   VAL  15           HA       VAL  15   6.328   1.724  -4.211
  113    HB   VAL  15           HB       VAL  15   7.630  -0.380  -4.155
  114   HG11  VAL  15          HG11      VAL  15   6.654  -2.398  -3.172
  115   HG12  VAL  15          HG12      VAL  15   5.399  -1.407  -2.431
  116   HG13  VAL  15          HG13      VAL  15   7.084  -1.193  -1.960
  117   HG21  VAL  15          HG21      VAL  15   5.986  -0.042  -5.898
  118   HG22  VAL  15          HG22      VAL  15   4.720  -0.692  -4.858
  119   HG23  VAL  15          HG23      VAL  15   6.021  -1.739  -5.424
  120    H    CYS  16           HN       CYS  16   4.151   1.922  -4.521
  121    HA   CYS  16           HA       CYS  16   2.512   1.417  -2.139
  122    HB2  CYS  16           HB2      CYS  16   3.002   3.856  -3.222
  123    HB3  CYS  16           HB1      CYS  16   1.519   3.415  -4.050
  124    H    HIS  17           HN       HIS  17   0.523   0.607  -2.362
  125    HA   HIS  17           HA       HIS  17  -0.611  -0.015  -4.934
  126    HB2  HIS  17           HB2      HIS  17  -0.735  -2.428  -4.542
  127    HB3  HIS  17           HB1      HIS  17   0.924  -1.901  -4.685
  128    HD1  HIS  17           HD1      HIS  17  -1.487  -3.479  -2.353
  129    HD2  HIS  17           HD2      HIS  17   2.408  -2.018  -2.236
  130    HE1  HIS  17           HE1      HIS  17  -0.499  -4.344  -0.211
  131    HE2  HIS  17           HE2      HIS  17   1.905  -3.605  -0.255
  132    H    ARG  18           HN       ARG  18  -2.704  -1.057  -4.684
  133    HA   ARG  18           HA       ARG  18  -4.180   0.060  -2.488
  134    HB2  ARG  18           HB2      ARG  18  -5.032  -1.972  -4.562
  135    HB3  ARG  18           HB1      ARG  18  -6.108  -1.133  -3.459
  136    HG2  ARG  18           HG2      ARG  18  -5.525   0.995  -4.512
  137    HG3  ARG  18           HG1      ARG  18  -4.449   0.141  -5.622
  138    HD2  ARG  18           HD2      ARG  18  -6.615   0.604  -6.662
  139    HD3  ARG  18           HD1      ARG  18  -6.336  -1.128  -6.498
  140    HE   ARG  18           HE       ARG  18  -8.173   0.480  -4.852
  141   HH11  ARG  18          HH11      ARG  18  -7.073  -2.624  -6.036
  142   HH12  ARG  18          HH12      ARG  18  -8.401  -3.503  -5.350
  143   HH21  ARG  18          HH21      ARG  18  -9.913  -0.668  -3.940
  144   HH22  ARG  18          HH22      ARG  18 -10.022  -2.388  -4.161
  145    H    ARG  19           HN       ARG  19  -4.970  -0.998  -0.681
  146    HA   ARG  19           HA       ARG  19  -3.741  -3.504   0.014
  147    HB2  ARG  19           HB2      ARG  19  -4.220  -1.747   1.710
  148    HB3  ARG  19           HB1      ARG  19  -5.934  -2.004   1.432
  149    HG2  ARG  19           HG2      ARG  19  -5.767  -4.276   2.245
  150    HG3  ARG  19           HG1      ARG  19  -4.027  -4.081   2.471
  151    HD2  ARG  19           HD2      ARG  19  -6.120  -2.414   3.854
  152    HD3  ARG  19           HD1      ARG  19  -5.364  -3.839   4.560
  153    HE   ARG  19           HE       ARG  19  -3.205  -2.457   4.066
  154   HH11  ARG  19          HH11      ARG  19  -6.274  -1.256   5.238
  155   HH12  ARG  19          HH12      ARG  19  -5.566   0.051   6.131
  156   HH21  ARG  19          HH21      ARG  19  -2.269  -0.737   5.256
  157   HH22  ARG  19          HH22      ARG  19  -3.296   0.357   6.128
  158    H    ALA  20           HN       ALA  20  -4.421  -5.282  -0.895
  159    HA   ALA  20           HA       ALA  20  -7.238  -5.535  -1.674
  160    HB1  ALA  20           HB1      ALA  20  -5.578  -5.795  -3.457
  161    HB2  ALA  20           HB2      ALA  20  -6.489  -7.282  -3.197
  162    HB3  ALA  20           HB3      ALA  20  -4.845  -7.137  -2.578
  163    H    ASN  21           HN       ASN  21  -6.836  -5.831   0.988
  164    HA   ASN  21           HA       ASN  21  -7.645  -8.581   1.354
  165    HB2  ASN  21           HB2      ASN  21  -6.100  -8.807   3.373
  166    HB3  ASN  21           HB1      ASN  21  -5.350  -8.939   1.790
  167   HD21  ASN  21          HD21      ASN  21  -5.668  -7.019   4.658
  168   HD22  ASN  21          HD22      ASN  21  -4.333  -5.965   4.342
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1 -16.453   3.213  -0.458
    2    H2   GLY   1           HT2      GLY   1 -14.898   3.422   0.168
    3    H3   GLY   1           HT3      GLY   1 -15.953   2.315   0.884
    4    HA2  GLY   1           HA1      GLY   1 -15.908   0.923  -1.056
    5    HA3  GLY   1           HA2      GLY   1 -14.894   2.101  -1.872
    6    H    PHE   2           HN       PHE   2 -12.889   1.372  -2.029
    7    HA   PHE   2           HA       PHE   2 -11.564   0.393   0.376
    8    HB2  PHE   2           HB2      PHE   2 -10.574  -1.520  -0.803
    9    HB3  PHE   2           HB1      PHE   2 -12.328  -1.643  -0.755
   10    HD1  PHE   2           HD1      PHE   2 -13.626  -0.965  -2.831
   11    HD2  PHE   2           HD2      PHE   2  -9.421  -1.615  -2.833
   12    HE1  PHE   2           HE1      PHE   2 -13.676  -1.251  -5.273
   13    HE2  PHE   2           HE2      PHE   2  -9.463  -1.903  -5.272
   14    HZ   PHE   2           HZ       PHE   2 -11.583  -1.731  -6.497
   15    H    ALA   3           HN       ALA   3 -11.455   2.844  -1.053
   16    HA   ALA   3           HA       ALA   3  -9.062   2.783  -2.678
   17    HB1  ALA   3           HB1      ALA   3 -10.738   5.131  -1.813
   18    HB2  ALA   3           HB2      ALA   3 -10.910   4.236  -3.323
   19    HB3  ALA   3           HB3      ALA   3  -9.443   5.162  -3.009
   20    H    TRP   4           HN       TRP   4  -7.554   2.079  -1.131
   21    HA   TRP   4           HA       TRP   4  -6.354   4.346   0.205
   22    HB2  TRP   4           HB2      TRP   4  -5.697   2.494   2.009
   23    HB3  TRP   4           HB1      TRP   4  -7.093   3.536   2.199
   24    HD1  TRP   4           HD1      TRP   4  -6.231  -0.059   1.027
   25    HE1  TRP   4           HE1      TRP   4  -8.279  -1.555   1.518
   26    HE3  TRP   4           HE3      TRP   4  -9.463   3.515   2.701
   27    HZ2  TRP   4           HZ2      TRP   4 -10.912  -1.246   2.497
   28    HZ3  TRP   4           HZ3      TRP   4 -11.723   2.842   3.403
   29    HH2  TRP   4           HH2      TRP   4 -12.429   0.510   3.302
   30    H    ASN   5           HN       ASN   5  -4.505   4.543  -0.809
   31    HA   ASN   5           HA       ASN   5  -3.199   2.295  -2.049
   32    HB2  ASN   5           HB2      ASN   5  -2.350   5.189  -1.756
   33    HB3  ASN   5           HB1      ASN   5  -1.458   3.983  -2.674
   34   HD21  ASN   5          HD21      ASN   5  -2.675   6.472  -3.540
   35   HD22  ASN   5          HD22      ASN   5  -3.785   6.053  -4.798
   36    H    VAL   6           HN       VAL   6  -1.926   0.960  -1.007
   37    HA   VAL   6           HA       VAL   6  -0.779   1.765   1.551
   38    HB   VAL   6           HB       VAL   6  -1.018  -0.976   0.295
   39   HG11  VAL   6          HG11      VAL   6  -0.339  -1.828   2.494
   40   HG12  VAL   6          HG12      VAL   6  -0.075  -0.175   3.047
   41   HG13  VAL   6          HG13      VAL   6   0.926  -0.843   1.759
   42   HG21  VAL   6          HG21      VAL   6  -2.705  -1.370   2.037
   43   HG22  VAL   6          HG22      VAL   6  -3.172  -0.061   0.948
   44   HG23  VAL   6          HG23      VAL   6  -2.546   0.309   2.556
   45    H    CYS   7           HN       CYS   7   1.069   2.790   1.241
   46    HA   CYS   7           HA       CYS   7   3.028   1.789  -0.675
   47    HB2  CYS   7           HB2      CYS   7   3.178   4.183   1.164
   48    HB3  CYS   7           HB1      CYS   7   4.316   3.790  -0.116
   49    H    VAL   8           HN       VAL   8   4.804   0.665  -0.130
   50    HA   VAL   8           HA       VAL   8   5.479   0.480   2.724
   51    HB   VAL   8           HB       VAL   8   5.983  -1.977   2.372
   52   HG11  VAL   8          HG11      VAL   8   4.088  -1.222   3.685
   53   HG12  VAL   8          HG12      VAL   8   3.660  -2.663   2.765
   54   HG13  VAL   8          HG13      VAL   8   3.109  -1.078   2.226
   55   HG21  VAL   8          HG21      VAL   8   5.930  -2.037  -0.055
   56   HG22  VAL   8          HG22      VAL   8   4.233  -1.559  -0.050
   57   HG23  VAL   8          HG23      VAL   8   4.709  -3.125   0.606
   58    H    TYR   9           HN       TYR   9   7.623   0.033   3.180
   59    HA   TYR   9           HA       TYR   9   9.428   0.710   0.991
   60    HB2  TYR   9           HB2      TYR   9   9.766   0.789   3.989
   61    HB3  TYR   9           HB1      TYR   9  11.054   1.140   2.850
   62    HD1  TYR   9           HD1      TYR   9  11.229   3.263   1.816
   63    HD2  TYR   9           HD2      TYR   9   7.738   2.266   4.035
   64    HE1  TYR   9           HE1      TYR   9  10.501   5.605   1.715
   65    HE2  TYR   9           HE2      TYR   9   6.999   4.609   3.935
   66    HH   TYR   9           HH       TYR   9   8.318   6.864   1.846
   67    H    ARG  10           HN       ARG  10  10.079  -1.025  -0.032
   68    HA   ARG  10           HA       ARG  10  11.028  -3.326   1.545
   69    HB2  ARG  10           HB2      ARG  10  10.077  -3.174  -1.324
   70    HB3  ARG  10           HB1      ARG  10  10.796  -4.603  -0.596
   71    HG2  ARG  10           HG2      ARG  10   8.973  -4.724   1.004
   72    HG3  ARG  10           HG1      ARG  10   8.256  -3.268   0.313
   73    HD2  ARG  10           HD2      ARG  10   7.848  -4.373  -1.763
   74    HD3  ARG  10           HD1      ARG  10   8.780  -5.781  -1.257
   75    HE   ARG  10           HE       ARG  10   6.626  -5.294   0.524
   76   HH11  ARG  10          HH11      ARG  10   7.336  -6.557  -2.664
   77   HH12  ARG  10          HH12      ARG  10   6.000  -7.663  -2.660
   78   HH21  ARG  10          HH21      ARG  10   4.866  -6.736   0.537
   79   HH22  ARG  10          HH22      ARG  10   4.588  -7.762  -0.835
   80    H    ASN  11           HN       ASN  11  13.142  -3.663   1.561
   81    HA   ASN  11           HA       ASN  11  15.347  -3.209   1.324
   82    HB2  ASN  11           HB2      ASN  11  16.293  -3.755  -0.856
   83    HB3  ASN  11           HB1      ASN  11  15.041  -4.891  -0.401
   84   HD21  ASN  11          HD21      ASN  11  15.922  -2.312  -2.562
   85   HD22  ASN  11          HD22      ASN  11  14.667  -2.598  -3.721
   86    H    GLY  12           HN       GLY  12  13.747  -0.819   1.387
   87    HA2  GLY  12           HA2      GLY  12  14.689   1.344   1.550
   88    HA3  GLY  12           HA1      GLY  12  15.800   0.932   0.255
   89    H    VAL  13           HN       VAL  13  13.137  -0.186  -1.102
   90    HA   VAL  13           HA       VAL  13  12.614   2.420  -2.347
   91    HB   VAL  13           HB       VAL  13  13.308   0.608  -3.860
   92   HG11  VAL  13          HG11      VAL  13  12.291  -1.300  -2.758
   93   HG12  VAL  13          HG12      VAL  13  11.752  -1.192  -4.434
   94   HG13  VAL  13          HG13      VAL  13  10.685  -0.674  -3.130
   95   HG21  VAL  13          HG21      VAL  13  11.577   0.960  -5.556
   96   HG22  VAL  13          HG22      VAL  13  12.001   2.454  -4.723
   97   HG23  VAL  13          HG23      VAL  13  10.508   1.611  -4.316
   98    H    ARG  14           HN       ARG  14  10.684   3.350  -2.446
   99    HA   ARG  14           HA       ARG  14   8.611   2.298  -0.682
  100    HB2  ARG  14           HB2      ARG  14   9.215   4.581  -0.257
  101    HB3  ARG  14           HB1      ARG  14   9.036   5.003  -1.954
  102    HG2  ARG  14           HG2      ARG  14   6.633   4.631  -1.809
  103    HG3  ARG  14           HG1      ARG  14   6.802   4.172  -0.113
  104    HD2  ARG  14           HD2      ARG  14   7.522   6.368   0.481
  105    HD3  ARG  14           HD1      ARG  14   7.646   6.844  -1.212
  106    HE   ARG  14           HE       ARG  14   5.167   6.557  -1.286
  107   HH11  ARG  14          HH11      ARG  14   6.783   7.226   1.755
  108   HH12  ARG  14          HH12      ARG  14   5.402   8.010   2.452
  109   HH21  ARG  14          HH21      ARG  14   3.353   7.601  -0.355
  110   HH22  ARG  14          HH22      ARG  14   3.465   8.229   1.259
  111    H    VAL  15           HN       VAL  15   7.381   0.859  -1.724
  112    HA   VAL  15           HA       VAL  15   6.431   1.533  -4.420
  113    HB   VAL  15           HB       VAL  15   7.546  -0.647  -4.167
  114   HG11  VAL  15          HG11      VAL  15   6.445  -2.477  -2.973
  115   HG12  VAL  15          HG12      VAL  15   5.265  -1.330  -2.336
  116   HG13  VAL  15          HG13      VAL  15   6.967  -1.183  -1.891
  117   HG21  VAL  15          HG21      VAL  15   4.611  -0.822  -4.809
  118   HG22  VAL  15          HG22      VAL  15   5.830  -2.005  -5.282
  119   HG23  VAL  15          HG23      VAL  15   5.902  -0.363  -5.921
  120    H    CYS  16           HN       CYS  16   4.316   1.898  -4.810
  121    HA   CYS  16           HA       CYS  16   2.495   1.677  -2.514
  122    HB2  CYS  16           HB2      CYS  16   2.423   3.687  -4.769
  123    HB3  CYS  16           HB1      CYS  16   1.260   3.584  -3.456
  124    H    HIS  17           HN       HIS  17   0.676   0.572  -2.760
  125    HA   HIS  17           HA       HIS  17  -0.287  -0.105  -5.428
  126    HB2  HIS  17           HB2      HIS  17  -0.525  -2.503  -4.797
  127    HB3  HIS  17           HB1      HIS  17   1.141  -1.990  -4.961
  128    HD1  HIS  17           HD1      HIS  17  -1.372  -3.133  -2.433
  129    HD2  HIS  17           HD2      HIS  17   2.653  -2.084  -2.585
  130    HE1  HIS  17           HE1      HIS  17  -0.403  -3.834  -0.220
  131    HE2  HIS  17           HE2      HIS  17   2.056  -3.327  -0.392
  132    H    ARG  18           HN       ARG  18  -2.412  -1.047  -5.379
  133    HA   ARG  18           HA       ARG  18  -4.053   0.147  -3.328
  134    HB2  ARG  18           HB2      ARG  18  -5.929  -0.489  -4.610
  135    HB3  ARG  18           HB1      ARG  18  -4.701  -0.071  -5.794
  136    HG2  ARG  18           HG2      ARG  18  -4.297  -2.347  -6.308
  137    HG3  ARG  18           HG1      ARG  18  -5.242  -2.895  -4.921
  138    HD2  ARG  18           HD2      ARG  18  -7.255  -1.880  -5.949
  139    HD3  ARG  18           HD1      ARG  18  -6.289  -1.470  -7.365
  140    HE   ARG  18           HE       ARG  18  -5.892  -4.106  -7.199
  141   HH11  ARG  18          HH11      ARG  18  -8.811  -2.194  -7.041
  142   HH12  ARG  18          HH12      ARG  18  -9.825  -3.441  -7.692
  143   HH21  ARG  18          HH21      ARG  18  -7.231  -5.764  -8.080
  144   HH22  ARG  18          HH22      ARG  18  -8.927  -5.470  -8.271
  145    H    ARG  19           HN       ARG  19  -5.377  -0.988  -1.864
  146    HA   ARG  19           HA       ARG  19  -4.402  -3.684  -1.251
  147    HB2  ARG  19           HB2      ARG  19  -4.444  -1.929   0.546
  148    HB3  ARG  19           HB1      ARG  19  -6.199  -1.925   0.426
  149    HG2  ARG  19           HG2      ARG  19  -6.233  -4.300   1.042
  150    HG3  ARG  19           HG1      ARG  19  -4.479  -4.267   1.210
  151    HD2  ARG  19           HD2      ARG  19  -4.670  -2.605   2.983
  152    HD3  ARG  19           HD1      ARG  19  -6.425  -2.598   2.797
  153    HE   ARG  19           HE       ARG  19  -5.143  -5.146   3.427
  154   HH11  ARG  19          HH11      ARG  19  -6.966  -2.377   4.548
  155   HH12  ARG  19          HH12      ARG  19  -7.547  -3.181   5.970
  156   HH21  ARG  19          HH21      ARG  19  -5.914  -6.206   5.293
  157   HH22  ARG  19          HH22      ARG  19  -6.951  -5.357   6.394
  158    H    ALA  20           HN       ALA  20  -5.883  -5.386  -0.795
  159    HA   ALA  20           HA       ALA  20  -7.645  -6.738  -1.191
  160    HB1  ALA  20           HB1      ALA  20  -9.261  -4.194  -1.315
  161    HB2  ALA  20           HB2      ALA  20  -8.882  -5.098   0.150
  162    HB3  ALA  20           HB3      ALA  20  -9.890  -5.826  -1.099
  163    H    ASN  21           HN       ASN  21  -6.307  -6.898  -3.263
  164    HA   ASN  21           HA       ASN  21  -7.589  -5.830  -5.618
  165    HB2  ASN  21           HB2      ASN  21  -5.854  -6.872  -6.891
  166    HB3  ASN  21           HB1      ASN  21  -5.099  -6.187  -5.462
  167   HD21  ASN  21          HD21      ASN  21  -5.879  -9.069  -7.184
  168   HD22  ASN  21          HD22      ASN  21  -4.990 -10.162  -6.185
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1 -15.665   3.448  -3.623
    2    H2   GLY   1           HT2      GLY   1 -14.069   3.986  -3.514
    3    H3   GLY   1           HT3      GLY   1 -15.174   4.371  -2.297
    4    HA2  GLY   1           HA1      GLY   1 -15.379   2.036  -1.706
    5    HA3  GLY   1           HA2      GLY   1 -14.198   1.650  -2.950
    6    H    PHE   2           HN       PHE   2 -13.067   0.682  -1.050
    7    HA   PHE   2           HA       PHE   2 -11.709   2.699   0.596
    8    HB2  PHE   2           HB2      PHE   2 -11.774  -0.312   0.900
    9    HB3  PHE   2           HB1      PHE   2 -10.998   0.815   2.006
   10    HD1  PHE   2           HD1      PHE   2 -12.528   2.602   3.083
   11    HD2  PHE   2           HD2      PHE   2 -13.966  -0.964   1.259
   12    HE1  PHE   2           HE1      PHE   2 -14.627   2.803   4.350
   13    HE2  PHE   2           HE2      PHE   2 -16.067  -0.768   2.520
   14    HZ   PHE   2           HZ       PHE   2 -16.407   1.117   4.058
   15    H    ALA   3           HN       ALA   3 -10.880   2.732  -1.998
   16    HA   ALA   3           HA       ALA   3  -8.628   0.959  -2.334
   17    HB1  ALA   3           HB1      ALA   3  -9.895   1.622  -4.297
   18    HB2  ALA   3           HB2      ALA   3  -8.228   2.194  -4.418
   19    HB3  ALA   3           HB3      ALA   3  -9.518   3.318  -3.990
   20    H    TRP   4           HN       TRP   4  -7.414   1.509  -0.476
   21    HA   TRP   4           HA       TRP   4  -6.015   4.061  -0.717
   22    HB2  TRP   4           HB2      TRP   4  -4.955   3.008   1.523
   23    HB3  TRP   4           HB1      TRP   4  -6.379   4.036   1.508
   24    HD1  TRP   4           HD1      TRP   4  -5.688   0.202   1.317
   25    HE1  TRP   4           HE1      TRP   4  -7.467  -0.971   2.752
   26    HE3  TRP   4           HE3      TRP   4  -8.371   4.288   2.715
   27    HZ2  TRP   4           HZ2      TRP   4  -9.724  -0.245   4.290
   28    HZ3  TRP   4           HZ3      TRP   4 -10.331   3.978   4.174
   29    HH2  TRP   4           HH2      TRP   4 -10.994   1.756   4.942
   30    H    ASN   5           HN       ASN   5  -3.980   4.155  -1.379
   31    HA   ASN   5           HA       ASN   5  -2.711   1.772  -2.340
   32    HB2  ASN   5           HB2      ASN   5  -0.843   3.392  -2.947
   33    HB3  ASN   5           HB1      ASN   5  -2.399   3.668  -3.714
   34   HD21  ASN   5          HD21      ASN   5  -0.034   4.882  -1.515
   35   HD22  ASN   5          HD22      ASN   5  -0.742   6.442  -1.291
   36    H    VAL   6           HN       VAL   6  -2.024   0.444  -0.830
   37    HA   VAL   6           HA       VAL   6  -0.832   1.275   1.621
   38    HB   VAL   6           HB       VAL   6  -0.889  -1.460   0.326
   39   HG11  VAL   6          HG11      VAL   6  -0.344  -2.324   2.538
   40   HG12  VAL   6          HG12      VAL   6  -0.243  -0.681   3.167
   41   HG13  VAL   6          HG13      VAL   6   0.918  -1.236   1.963
   42   HG21  VAL   6          HG21      VAL   6  -3.119  -0.582   0.810
   43   HG22  VAL   6          HG22      VAL   6  -2.641  -0.272   2.478
   44   HG23  VAL   6          HG23      VAL   6  -2.717  -1.928   1.877
   45    H    CYS   7           HN       CYS   7   0.986   2.364   1.411
   46    HA   CYS   7           HA       CYS   7   3.078   1.413  -0.379
   47    HB2  CYS   7           HB2      CYS   7   3.023   3.877   1.363
   48    HB3  CYS   7           HB1      CYS   7   4.202   3.513   0.112
   49    H    VAL   8           HN       VAL   8   4.874   0.436   0.264
   50    HA   VAL   8           HA       VAL   8   5.564   0.478   3.118
   51    HB   VAL   8           HB       VAL   8   6.281  -1.944   2.908
   52   HG11  VAL   8          HG11      VAL   8   4.317  -1.301   4.175
   53   HG12  VAL   8          HG12      VAL   8   4.035  -2.827   3.339
   54   HG13  VAL   8          HG13      VAL   8   3.334  -1.335   2.710
   55   HG21  VAL   8          HG21      VAL   8   4.522  -1.823   0.460
   56   HG22  VAL   8          HG22      VAL   8   5.114  -3.304   1.214
   57   HG23  VAL   8          HG23      VAL   8   6.253  -2.163   0.499
   58    H    TYR   9           HN       TYR   9   7.787   0.192   3.536
   59    HA   TYR   9           HA       TYR   9   9.446   1.038   1.315
   60    HB2  TYR   9           HB2      TYR   9   9.982   0.782   4.274
   61    HB3  TYR   9           HB1      TYR   9  11.195   1.283   3.103
   62    HD1  TYR   9           HD1      TYR   9  10.841   3.403   1.805
   63    HD2  TYR   9           HD2      TYR   9   8.361   2.297   5.078
   64    HE1  TYR   9           HE1      TYR   9  10.071   5.729   1.998
   65    HE2  TYR   9           HE2      TYR   9   7.580   4.621   5.279
   66    HH   TYR   9           HH       TYR   9   8.092   6.947   2.893
   67    H    ARG  10           HN       ARG  10  10.282  -0.424   0.053
   68    HA   ARG  10           HA       ARG  10  11.173  -2.983   1.208
   69    HB2  ARG  10           HB2      ARG  10   8.951  -3.134   0.027
   70    HB3  ARG  10           HB1      ARG  10   9.785  -2.674  -1.450
   71    HG2  ARG  10           HG2      ARG  10  11.187  -4.661  -1.282
   72    HG3  ARG  10           HG1      ARG  10  10.356  -5.119   0.206
   73    HD2  ARG  10           HD2      ARG  10   9.049  -4.769  -2.478
   74    HD3  ARG  10           HD1      ARG  10   9.508  -6.313  -1.768
   75    HE   ARG  10           HE       ARG  10   7.921  -5.265   0.129
   76   HH11  ARG  10          HH11      ARG  10   7.495  -5.621  -3.327
   77   HH12  ARG  10          HH12      ARG  10   5.777  -5.823  -3.221
   78   HH21  ARG  10          HH21      ARG  10   5.653  -5.511   0.270
   79   HH22  ARG  10          HH22      ARG  10   4.726  -5.761  -1.178
   80    H    ASN  11           HN       ASN  11  13.218  -3.437   0.704
   81    HA   ASN  11           HA       ASN  11  15.311  -3.261  -0.147
   82    HB2  ASN  11           HB2      ASN  11  13.838  -2.627  -2.716
   83    HB3  ASN  11           HB1      ASN  11  15.552  -3.010  -2.605
   84   HD21  ASN  11          HD21      ASN  11  12.366  -4.236  -2.720
   85   HD22  ASN  11          HD22      ASN  11  12.773  -5.917  -2.658
   86    H    GLY  12           HN       GLY  12  14.001  -0.898   0.994
   87    HA2  GLY  12           HA2      GLY  12  14.985   1.135   1.566
   88    HA3  GLY  12           HA1      GLY  12  16.034   1.000   0.167
   89    H    VAL  13           HN       VAL  13  12.979   0.407  -0.955
   90    HA   VAL  13           HA       VAL  13  12.566   3.263  -1.545
   91    HB   VAL  13           HB       VAL  13  13.529   1.948  -3.454
   92   HG11  VAL  13          HG11      VAL  13  10.825   0.633  -3.462
   93   HG12  VAL  13          HG12      VAL  13  12.375  -0.149  -3.142
   94   HG13  VAL  13          HG13      VAL  13  12.030   0.505  -4.744
   95   HG21  VAL  13          HG21      VAL  13  12.385   4.042  -3.838
   96   HG22  VAL  13          HG22      VAL  13  10.830   3.211  -3.883
   97   HG23  VAL  13          HG23      VAL  13  12.030   2.908  -5.140
   98    H    ARG  14           HN       ARG  14  10.443   3.945  -1.883
   99    HA   ARG  14           HA       ARG  14   8.477   2.508  -0.339
  100    HB2  ARG  14           HB2      ARG  14   8.658   4.907  -0.081
  101    HB3  ARG  14           HB1      ARG  14   8.407   5.153  -1.802
  102    HG2  ARG  14           HG2      ARG  14   6.122   4.316  -1.589
  103    HG3  ARG  14           HG1      ARG  14   6.378   4.068   0.142
  104    HD2  ARG  14           HD2      ARG  14   6.752   6.433   0.462
  105    HD3  ARG  14           HD1      ARG  14   6.635   6.720  -1.269
  106    HE   ARG  14           HE       ARG  14   4.246   5.612  -0.692
  107   HH11  ARG  14          HH11      ARG  14   6.050   8.271   0.695
  108   HH12  ARG  14          HH12      ARG  14   4.637   9.125   1.221
  109   HH21  ARG  14          HH21      ARG  14   2.373   6.743   0.006
  110   HH22  ARG  14          HH22      ARG  14   2.546   8.251   0.841
  111    H    VAL  15           HN       VAL  15   7.277   0.958  -1.212
  112    HA   VAL  15           HA       VAL  15   6.431   1.268  -4.020
  113    HB   VAL  15           HB       VAL  15   7.787  -0.736  -3.660
  114   HG11  VAL  15          HG11      VAL  15   7.335  -1.166  -1.330
  115   HG12  VAL  15          HG12      VAL  15   6.976  -2.598  -2.296
  116   HG13  VAL  15          HG13      VAL  15   5.663  -1.576  -1.709
  117   HG21  VAL  15          HG21      VAL  15   6.256  -2.387  -4.625
  118   HG22  VAL  15          HG22      VAL  15   6.055  -0.799  -5.364
  119   HG23  VAL  15          HG23      VAL  15   4.887  -1.371  -4.174
  120    H    CYS  16           HN       CYS  16   4.302   1.366  -4.467
  121    HA   CYS  16           HA       CYS  16   2.466   1.093  -2.183
  122    HB2  CYS  16           HB2      CYS  16   2.233   2.992  -4.526
  123    HB3  CYS  16           HB1      CYS  16   1.121   2.882  -3.168
  124    H    HIS  17           HN       HIS  17   0.575   0.002  -2.481
  125    HA   HIS  17           HA       HIS  17  -0.191  -0.805  -5.172
  126    HB2  HIS  17           HB2      HIS  17  -0.596  -3.175  -4.308
  127    HB3  HIS  17           HB1      HIS  17   1.059  -2.723  -4.665
  128    HD1  HIS  17           HD1      HIS  17  -1.219  -3.620  -1.843
  129    HD2  HIS  17           HD2      HIS  17   2.771  -2.629  -2.438
  130    HE1  HIS  17           HE1      HIS  17  -0.059  -4.192   0.305
  131    HE2  HIS  17           HE2      HIS  17   2.382  -3.810  -0.167
  132    H    ARG  18           HN       ARG  18  -2.337  -1.528  -5.331
  133    HA   ARG  18           HA       ARG  18  -4.026  -0.024  -3.529
  134    HB2  ARG  18           HB2      ARG  18  -4.736  -1.649  -5.980
  135    HB3  ARG  18           HB1      ARG  18  -5.831  -0.582  -5.114
  136    HG2  ARG  18           HG2      ARG  18  -4.384   1.324  -5.660
  137    HG3  ARG  18           HG1      ARG  18  -3.323   0.243  -6.564
  138    HD2  ARG  18           HD2      ARG  18  -6.229   0.787  -7.159
  139    HD3  ARG  18           HD1      ARG  18  -4.854   1.439  -8.042
  140    HE   ARG  18           HE       ARG  18  -4.913  -1.436  -7.938
  141   HH11  ARG  18          HH11      ARG  18  -5.919   1.418  -9.693
  142   HH12  ARG  18          HH12      ARG  18  -6.265   0.555 -11.157
  143   HH21  ARG  18          HH21      ARG  18  -5.334  -2.575  -9.865
  144   HH22  ARG  18          HH22      ARG  18  -5.918  -1.722 -11.259
  145    H    ARG  19           HN       ARG  19  -5.196  -0.814  -1.904
  146    HA   ARG  19           HA       ARG  19  -5.134  -3.696  -1.462
  147    HB2  ARG  19           HB2      ARG  19  -4.445  -2.113   0.343
  148    HB3  ARG  19           HB1      ARG  19  -6.097  -1.516   0.391
  149    HG2  ARG  19           HG2      ARG  19  -5.765  -3.083   2.174
  150    HG3  ARG  19           HG1      ARG  19  -6.862  -3.787   0.988
  151    HD2  ARG  19           HD2      ARG  19  -5.008  -5.065   0.036
  152    HD3  ARG  19           HD1      ARG  19  -3.909  -4.356   1.214
  153    HE   ARG  19           HE       ARG  19  -6.058  -5.603   2.555
  154   HH11  ARG  19          HH11      ARG  19  -3.193  -6.371   0.695
  155   HH12  ARG  19          HH12      ARG  19  -2.930  -7.898   1.469
  156   HH21  ARG  19          HH21      ARG  19  -5.698  -7.622   3.599
  157   HH22  ARG  19          HH22      ARG  19  -4.369  -8.621   3.110
  158    H    ALA  20           HN       ALA  20  -6.825  -4.964  -1.769
  159    HA   ALA  20           HA       ALA  20  -9.453  -3.712  -2.189
  160    HB1  ALA  20           HB1      ALA  20  -8.419  -6.320  -3.295
  161    HB2  ALA  20           HB2      ALA  20  -8.554  -4.805  -4.188
  162    HB3  ALA  20           HB3      ALA  20 -10.008  -5.621  -3.607
  163    H    ASN  21           HN       ASN  21  -7.852  -5.080   0.151
  164    HA   ASN  21           HA       ASN  21 -10.218  -6.448   1.222
  165    HB2  ASN  21           HB2      ASN  21  -8.555  -8.162   0.627
  166    HB3  ASN  21           HB1      ASN  21  -7.351  -7.338   1.614
  167   HD21  ASN  21          HD21      ASN  21  -7.588  -7.349   3.883
  168   HD22  ASN  21          HD22      ASN  21  -8.556  -8.542   4.675
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1 -14.876   1.269  -3.250
    2    H2   GLY   1           HT2      GLY   1 -15.909   0.793  -2.000
    3    H3   GLY   1           HT3      GLY   1 -15.926  -0.036  -3.470
    4    HA2  GLY   1           HA1      GLY   1 -14.752  -1.307  -1.795
    5    HA3  GLY   1           HA2      GLY   1 -13.689  -0.827  -3.110
    6    H    PHE   2           HN       PHE   2 -12.411  -1.517  -0.958
    7    HA   PHE   2           HA       PHE   2 -11.644   1.012   0.337
    8    HB2  PHE   2           HB2      PHE   2 -10.780  -0.594   2.196
    9    HB3  PHE   2           HB1      PHE   2 -12.496  -0.206   2.132
   10    HD1  PHE   2           HD1      PHE   2 -14.127  -1.866   1.567
   11    HD2  PHE   2           HD2      PHE   2  -9.976  -2.805   1.537
   12    HE1  PHE   2           HE1      PHE   2 -14.673  -4.260   1.462
   13    HE2  PHE   2           HE2      PHE   2 -10.516  -5.202   1.431
   14    HZ   PHE   2           HZ       PHE   2 -12.867  -5.930   1.392
   15    H    ALA   3           HN       ALA   3 -10.559   0.400  -2.043
   16    HA   ALA   3           HA       ALA   3  -8.084  -1.029  -1.738
   17    HB1  ALA   3           HB1      ALA   3  -7.602  -0.304  -3.999
   18    HB2  ALA   3           HB2      ALA   3  -8.946   0.834  -3.950
   19    HB3  ALA   3           HB3      ALA   3  -9.257  -0.901  -3.906
   20    H    TRP   4           HN       TRP   4  -7.019  -0.031  -0.040
   21    HA   TRP   4           HA       TRP   4  -6.703   2.779   0.188
   22    HB2  TRP   4           HB2      TRP   4  -4.673   0.953   1.376
   23    HB3  TRP   4           HB1      TRP   4  -5.432   2.369   2.068
   24    HD1  TRP   4           HD1      TRP   4  -5.724  -1.383   1.896
   25    HE1  TRP   4           HE1      TRP   4  -7.608  -2.161   3.453
   26    HE3  TRP   4           HE3      TRP   4  -7.763   3.150   2.918
   27    HZ2  TRP   4           HZ2      TRP   4  -9.729  -0.970   4.923
   28    HZ3  TRP   4           HZ3      TRP   4  -9.729   3.267   4.403
   29    HH2  TRP   4           HH2      TRP   4 -10.691   1.247   5.384
   30    H    ASN   5           HN       ASN   5  -5.352   4.085  -0.900
   31    HA   ASN   5           HA       ASN   5  -3.220   2.980  -2.485
   32    HB2  ASN   5           HB2      ASN   5  -2.665   5.333  -3.022
   33    HB3  ASN   5           HB1      ASN   5  -4.361   4.982  -3.303
   34   HD21  ASN   5          HD21      ASN   5  -2.096   6.880  -1.585
   35   HD22  ASN   5          HD22      ASN   5  -3.228   7.853  -0.712
   36    H    VAL   6           HN       VAL   6  -1.663   2.051  -1.346
   37    HA   VAL   6           HA       VAL   6  -0.617   3.490   0.983
   38    HB   VAL   6           HB       VAL   6  -1.941   1.726   1.884
   39   HG11  VAL   6          HG11      VAL   6  -0.487  -0.194   0.082
   40   HG12  VAL   6          HG12      VAL   6  -2.154   0.347  -0.113
   41   HG13  VAL   6          HG13      VAL   6  -1.700  -0.613   1.294
   42   HG21  VAL   6          HG21      VAL   6  -0.278   0.344   3.048
   43   HG22  VAL   6          HG22      VAL   6   0.173   2.050   3.009
   44   HG23  VAL   6          HG23      VAL   6   0.956   0.905   1.919
   45    H    CYS   7           HN       CYS   7   1.392   3.952   0.824
   46    HA   CYS   7           HA       CYS   7   3.135   2.507  -1.016
   47    HB2  CYS   7           HB2      CYS   7   3.799   4.997   0.551
   48    HB3  CYS   7           HB1      CYS   7   4.613   4.376  -0.880
   49    H    VAL   8           HN       VAL   8   4.625   1.116  -0.330
   50    HA   VAL   8           HA       VAL   8   5.202   1.087   2.563
   51    HB   VAL   8           HB       VAL   8   5.475  -1.363   2.424
   52   HG11  VAL   8          HG11      VAL   8   3.382  -0.449   3.219
   53   HG12  VAL   8          HG12      VAL   8   3.090  -1.925   2.297
   54   HG13  VAL   8          HG13      VAL   8   2.771  -0.351   1.567
   55   HG21  VAL   8          HG21      VAL   8   5.977  -1.544   0.040
   56   HG22  VAL   8          HG22      VAL   8   4.322  -1.074  -0.346
   57   HG23  VAL   8          HG23      VAL   8   4.634  -2.591   0.492
   58    H    TYR   9           HN       TYR   9   7.252   0.129   3.124
   59    HA   TYR   9           HA       TYR   9   9.278   0.730   1.105
   60    HB2  TYR   9           HB2      TYR   9   9.440   0.532   4.115
   61    HB3  TYR   9           HB1      TYR   9  10.829   0.787   3.067
   62    HD1  TYR   9           HD1      TYR   9  11.158   2.913   1.927
   63    HD2  TYR   9           HD2      TYR   9   7.811   2.284   4.473
   64    HE1  TYR   9           HE1      TYR   9  10.761   5.337   1.990
   65    HE2  TYR   9           HE2      TYR   9   7.401   4.705   4.539
   66    HH   TYR   9           HH       TYR   9   8.942   6.897   2.425
   67    H    ARG  10           HN       ARG  10   9.726  -1.000  -0.028
   68    HA   ARG  10           HA       ARG  10   9.898  -3.603   1.334
   69    HB2  ARG  10           HB2      ARG  10   8.172  -3.448  -0.422
   70    HB3  ARG  10           HB1      ARG  10   9.407  -2.986  -1.585
   71    HG2  ARG  10           HG2      ARG  10  10.502  -5.165  -1.242
   72    HG3  ARG  10           HG1      ARG  10   9.195  -5.625  -0.149
   73    HD2  ARG  10           HD2      ARG  10   8.784  -6.533  -2.350
   74    HD3  ARG  10           HD1      ARG  10   7.586  -5.294  -1.976
   75    HE   ARG  10           HE       ARG  10   9.940  -4.529  -3.541
   76   HH11  ARG  10          HH11      ARG  10   6.492  -5.132  -3.392
   77   HH12  ARG  10          HH12      ARG  10   6.176  -4.447  -4.954
   78   HH21  ARG  10          HH21      ARG  10   9.521  -3.596  -5.587
   79   HH22  ARG  10          HH22      ARG  10   7.900  -3.570  -6.201
   80    H    ASN  11           HN       ASN  11  11.978  -3.794   1.901
   81    HA   ASN  11           HA       ASN  11  14.204  -4.211   1.698
   82    HB2  ASN  11           HB2      ASN  11  13.681  -4.388  -1.280
   83    HB3  ASN  11           HB1      ASN  11  15.071  -5.036  -0.424
   84   HD21  ASN  11          HD21      ASN  11  13.392  -5.985   1.814
   85   HD22  ASN  11          HD22      ASN  11  12.591  -7.394   1.217
   86    H    GLY  12           HN       GLY  12  13.139  -1.457   1.496
   87    HA2  GLY  12           HA2      GLY  12  14.673   0.398   1.695
   88    HA3  GLY  12           HA1      GLY  12  15.582  -0.270   0.353
   89    H    VAL  13           HN       VAL  13  12.867  -0.766  -1.038
   90    HA   VAL  13           HA       VAL  13  12.785   1.940  -2.161
   91    HB   VAL  13           HB       VAL  13  13.266   0.130  -3.746
   92   HG11  VAL  13          HG11      VAL  13  12.016  -1.681  -2.725
   93   HG12  VAL  13          HG12      VAL  13  11.528  -1.461  -4.404
   94   HG13  VAL  13          HG13      VAL  13  10.500  -0.865  -3.102
   95   HG21  VAL  13          HG21      VAL  13  10.613   1.472  -4.207
   96   HG22  VAL  13          HG22      VAL  13  11.610   0.727  -5.457
   97   HG23  VAL  13          HG23      VAL  13  12.205   2.136  -4.578
   98    H    ARG  14           HN       ARG  14  10.974   3.126  -2.321
   99    HA   ARG  14           HA       ARG  14   8.695   2.290  -0.702
  100    HB2  ARG  14           HB2      ARG  14   9.580   4.492  -0.222
  101    HB3  ARG  14           HB1      ARG  14   9.451   4.956  -1.912
  102    HG2  ARG  14           HG2      ARG  14   7.047   4.899  -1.794
  103    HG3  ARG  14           HG1      ARG  14   7.111   4.286  -0.142
  104    HD2  ARG  14           HD2      ARG  14   8.074   6.331   0.648
  105    HD3  ARG  14           HD1      ARG  14   8.267   6.934  -0.996
  106    HE   ARG  14           HE       ARG  14   5.810   7.004  -1.122
  107   HH11  ARG  14          HH11      ARG  14   7.315   6.957   2.053
  108   HH12  ARG  14          HH12      ARG  14   5.979   7.749   2.825
  109   HH21  ARG  14          HH21      ARG  14   4.063   8.058  -0.094
  110   HH22  ARG  14          HH22      ARG  14   4.142   8.378   1.610
  111    H    VAL  15           HN       VAL  15   7.046   1.333  -1.655
  112    HA   VAL  15           HA       VAL  15   6.453   2.023  -4.457
  113    HB   VAL  15           HB       VAL  15   7.435  -0.203  -4.319
  114   HG11  VAL  15          HG11      VAL  15   6.860  -0.822  -2.066
  115   HG12  VAL  15          HG12      VAL  15   6.276  -2.048  -3.193
  116   HG13  VAL  15          HG13      VAL  15   5.150  -0.885  -2.491
  117   HG21  VAL  15          HG21      VAL  15   5.785   0.201  -6.048
  118   HG22  VAL  15          HG22      VAL  15   4.491  -0.272  -4.946
  119   HG23  VAL  15          HG23      VAL  15   5.677  -1.464  -5.476
  120    H    CYS  16           HN       CYS  16   4.472   2.764  -4.828
  121    HA   CYS  16           HA       CYS  16   2.476   2.549  -2.702
  122    HB2  CYS  16           HB2      CYS  16   2.447   4.264  -5.184
  123    HB3  CYS  16           HB1      CYS  16   1.316   4.358  -3.841
  124    H    HIS  17           HN       HIS  17   0.703   1.360  -2.884
  125    HA   HIS  17           HA       HIS  17  -0.230   0.500  -5.500
  126    HB2  HIS  17           HB2      HIS  17  -0.418  -1.888  -4.653
  127    HB3  HIS  17           HB1      HIS  17   1.193  -1.340  -5.071
  128    HD1  HIS  17           HD1      HIS  17  -0.955  -1.726  -1.957
  129    HD2  HIS  17           HD2      HIS  17   3.026  -1.852  -3.129
  130    HE1  HIS  17           HE1      HIS  17   0.330  -2.323   0.114
  131    HE2  HIS  17           HE2      HIS  17   2.690  -2.692  -0.707
  132    H    ARG  18           HN       ARG  18  -2.329  -0.547  -5.390
  133    HA   ARG  18           HA       ARG  18  -3.938   0.704  -3.291
  134    HB2  ARG  18           HB2      ARG  18  -4.673  -0.486  -5.965
  135    HB3  ARG  18           HB1      ARG  18  -5.858   0.093  -4.805
  136    HG2  ARG  18           HG2      ARG  18  -4.873   2.330  -4.918
  137    HG3  ARG  18           HG1      ARG  18  -3.706   1.745  -6.107
  138    HD2  ARG  18           HD2      ARG  18  -5.492   1.227  -7.653
  139    HD3  ARG  18           HD1      ARG  18  -6.699   1.673  -6.450
  140    HE   ARG  18           HE       ARG  18  -4.990   3.859  -6.887
  141   HH11  ARG  18          HH11      ARG  18  -7.457   2.015  -8.534
  142   HH12  ARG  18          HH12      ARG  18  -8.016   3.353  -9.484
  143   HH21  ARG  18          HH21      ARG  18  -5.712   5.638  -8.146
  144   HH22  ARG  18          HH22      ARG  18  -7.009   5.415  -9.275
  145    H    ARG  19           HN       ARG  19  -3.838  -0.601  -1.561
  146    HA   ARG  19           HA       ARG  19  -3.950  -3.472  -1.795
  147    HB2  ARG  19           HB2      ARG  19  -2.555  -2.369  -0.102
  148    HB3  ARG  19           HB1      ARG  19  -3.992  -1.691   0.646
  149    HG2  ARG  19           HG2      ARG  19  -3.855  -3.466   1.993
  150    HG3  ARG  19           HG1      ARG  19  -4.590  -4.337   0.649
  151    HD2  ARG  19           HD2      ARG  19  -1.622  -4.069   1.101
  152    HD3  ARG  19           HD1      ARG  19  -2.586  -5.452   1.605
  153    HE   ARG  19           HE       ARG  19  -2.948  -4.999  -1.157
  154   HH11  ARG  19          HH11      ARG  19  -0.549  -6.131   1.113
  155   HH12  ARG  19          HH12      ARG  19   0.205  -7.209  -0.015
  156   HH21  ARG  19          HH21      ARG  19  -1.961  -6.419  -2.661
  157   HH22  ARG  19          HH22      ARG  19  -0.603  -7.379  -2.164
  158    H    ALA  20           HN       ALA  20  -5.699  -4.701  -1.684
  159    HA   ALA  20           HA       ALA  20  -8.257  -3.414  -1.028
  160    HB1  ALA  20           HB1      ALA  20  -9.313  -5.200  -2.299
  161    HB2  ALA  20           HB2      ALA  20  -7.746  -5.969  -2.549
  162    HB3  ALA  20           HB3      ALA  20  -8.080  -4.394  -3.270
  163    H    ASN  21           HN       ASN  21  -6.628  -4.119   1.106
  164    HA   ASN  21           HA       ASN  21  -7.961  -6.508   2.187
  165    HB2  ASN  21           HB2      ASN  21  -5.269  -5.334   2.908
  166    HB3  ASN  21           HB1      ASN  21  -6.045  -6.639   3.796
  167   HD21  ASN  21          HD21      ASN  21  -7.135  -7.745   1.251
  168   HD22  ASN  21          HD22      ASN  21  -5.799  -8.554   0.514